N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride

C16H25Cl2N3 — CID 154912594

IUPACN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
SMILESCN(CC1[C@H]2CNC[C@@H]12)C(c1ccccn1)C1CC1.Cl.Cl
InChIInChI=1S/C16H23N3.2ClH/c1-19(10-14-12-8-17-9-13(12)14)16(11-5-6-11)15-4-2-3-7-18-15;;/h2-4,7,11-14,16-17H,5-6,8-10H2,1H3;2*1H/t12-,13+,14?,16?;;
InChIKeyDPLOXTLMNVSTHJ-DQHBSNNSSA-N
MW330.30 g/mol
LogP2.77
Rot. Bonds5

About N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride

N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride (PubChem CID 154912594) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
PubChem CID154912594
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
SMILESCN(CC1[C@H]2CNC[C@@H]12)C(c1ccccn1)C1CC1.Cl.Cl
InChIInChI=1S/C16H23N3.2ClH/c1-19(10-14-12-8-17-9-13(12)14)16(11-5-6-11)15-4-2-3-7-18-15;;/h2-4,7,11-14,16-17H,5-6,8-10H2,1H3;2*1H/t12-,13+,14?,16?;;
InChIKeyDPLOXTLMNVSTHJ-DQHBSNNSSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 125175859
3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 95216100
7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219462
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 131899290
8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109749
8-chloro-2-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109748
2-(1-cyclopropylpropyl)pyridine
CID 154455035
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
3-[[2-[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]acetyl]amino]benzoic acid
CID 124750079
N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
CID 77098209
2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135896092

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride?
The IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride (CID 154912594) is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride?
The canonical SMILES for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride is CN(CC1[C@H]2CNC[C@@H]12)C(c1ccccn1)C1CC1.Cl.Cl.
What is the InChIKey of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride?
The InChIKey is DPLOXTLMNVSTHJ-DQHBSNNSSA-N. The full InChI is InChI=1S/C16H23N3.2ClH/c1-19(10-14-12-8-17-9-13(12)14)16(11-5-6-11)15-4-2-3-7-18-15;;/h2-4,7,11-14,16-17H,5-6,8-10H2,1H3;2*1H/t12-,13+,14?,16?;;.
What are the key properties of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride?
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 154912594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).