N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C18H29N3 — CID 115562170

IUPACN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CC3CCCC3C2)nc1
InChIInChI=1S/C18H29N3/c1-18(2,3)20-10-14-7-8-17(19-9-14)13-21-11-15-5-4-6-16(15)12-21/h7-9,15-16,20H,4-6,10-13H2,1-3H3
InChIKeyACISIASPBONYIL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.20
Rot. Bonds4

About N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 115562170) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID115562170
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CC3CCCC3C2)nc1
InChIInChI=1S/C18H29N3/c1-18(2,3)20-10-14-7-8-17(19-9-14)13-21-11-15-5-4-6-16(15)12-21/h7-9,15-16,20H,4-6,10-13H2,1-3H3
InChIKeyACISIASPBONYIL-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Tc-2216
CID 10176607
(R)-Nornicotine
CID 93047
N-Desmethylpheniramine
CID 161283
(S)-nicotinium(1+)
CID 6919000
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
Amd-8664
CID 483559
N-methyl,N-(benzyl),N-(pyrrol-2-ylmethyl)amine
CID 11805737
5-Ethyl-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 44456496
(3aR,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 9942350
cis-2-(3-Pyridinyl)octahydropyrrolo[3,4-c]pyrrole Dihydrochloride
CID 10081211

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 115562170) is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(CN2CC3CCCC3C2)nc1.
What is the InChIKey of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ACISIASPBONYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,3)20-10-14-7-8-17(19-9-14)13-21-11-15-5-4-6-16(15)12-21/h7-9,15-16,20H,4-6,10-13H2,1-3H3.
What are the key properties of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115562170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).