N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C17H25N3 — CID 82752978

IUPACN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(N2CCC3CCCCC32)c(CNC2CC2)c1
InChIInChI=1S/C17H25N3/c1-2-6-16-13(4-1)9-11-20(16)17-14(5-3-10-18-17)12-19-15-7-8-15/h3,5,10,13,15-16,19H,1-2,4,6-9,11-12H2
InChIKeyBUDKXWRMSKFGIT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.10
Rot. Bonds4

About N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 82752978) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID82752978
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(N2CCC3CCCCC32)c(CNC2CC2)c1
InChIInChI=1S/C17H25N3/c1-2-6-16-13(4-1)9-11-20(16)17-14(5-3-10-18-17)12-19-15-7-8-15/h3,5,10,13,15-16,19H,1-2,4,6-9,11-12H2
InChIKeyBUDKXWRMSKFGIT-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
1-[3-(chloromethyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319793
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
CID 103739512

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 82752978) is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is c1cnc(N2CCC3CCCCC32)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BUDKXWRMSKFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-6-16-13(4-1)9-11-20(16)17-14(5-3-10-18-17)12-19-15-7-8-15/h3,5,10,13,15-16,19H,1-2,4,6-9,11-12H2.
What are the key properties of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 271.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 82752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).