N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride

C17H29Cl2N3 — CID 154912537

IUPACN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride
SMILESCC(C)(C)CC(NCC1[C@H]2CNC[C@@H]12)c1cccnc1.Cl.Cl
InChIInChI=1S/C17H27N3.2ClH/c1-17(2,3)7-16(12-5-4-6-18-8-12)20-11-15-13-9-19-10-14(13)15;;/h4-6,8,13-16,19-20H,7,9-11H2,1-3H3;2*1H/t13-,14+,15?,16?;;
InChIKeyYEUZCDGUOMAZOR-IJTOKZDFSA-N
MW346.35 g/mol
LogP3.46
Rot. Bonds5

About N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride

N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride (PubChem CID 154912537) has the molecular formula C17H29Cl2N3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride
PubChem CID154912537
Molecular FormulaC17H29Cl2N3
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride
SMILESCC(C)(C)CC(NCC1[C@H]2CNC[C@@H]12)c1cccnc1.Cl.Cl
InChIInChI=1S/C17H27N3.2ClH/c1-17(2,3)7-16(12-5-4-6-18-8-12)20-11-15-13-9-19-10-14(13)15;;/h4-6,8,13-16,19-20H,7,9-11H2,1-3H3;2*1H/t13-,14+,15?,16?;;
InChIKeyYEUZCDGUOMAZOR-IJTOKZDFSA-N
XLogP3.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
CID 50948802
N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
CID 116956967
N-cyclopropyl-1-pyridin-3-ylethane-1,2-diamine
CID 62069804
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
CID 134714092
N-(cyclohexylmethyl)-1-pyridin-3-ylpentan-1-amine
CID 56676007
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91299914

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride?
The IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride (CID 154912537) is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride.
What is the SMILES notation for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride?
The canonical SMILES for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride is CC(C)(C)CC(NCC1[C@H]2CNC[C@@H]12)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride?
The InChIKey is YEUZCDGUOMAZOR-IJTOKZDFSA-N. The full InChI is InChI=1S/C17H27N3.2ClH/c1-17(2,3)7-16(12-5-4-6-18-8-12)20-11-15-13-9-19-10-14(13)15;;/h4-6,8,13-16,19-20H,7,9-11H2,1-3H3;2*1H/t13-,14+,15?,16?;;.
What are the key properties of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride?
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride has a molecular weight of 346.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 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]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride is sourced from PubChem (CID 154912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).