N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine

C18H26N2 — CID 65319734

IUPACN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc(N2CCCC3CCCC32)ccc1CNC1CC1
InChIInChI=1S/C18H26N2/c1-3-15-4-2-12-20(18(15)5-1)17-10-6-14(7-11-17)13-19-16-8-9-16/h6-7,10-11,15-16,18-19H,1-5,8-9,12-13H2
InChIKeyJGZOZDFVOHVWCG-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.71
Rot. Bonds4

About N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 65319734) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID65319734
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc(N2CCCC3CCCC32)ccc1CNC1CC1
InChIInChI=1S/C18H26N2/c1-3-15-4-2-12-20(18(15)5-1)17-10-6-14(7-11-17)13-19-16-8-9-16/h6-7,10-11,15-16,18-19H,1-5,8-9,12-13H2
InChIKeyJGZOZDFVOHVWCG-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 82752403
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 107381002
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine (CID 65319734) is N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine is c1cc(N2CCCC3CCCC32)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is JGZOZDFVOHVWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-15-4-2-12-20(18(15)5-1)17-10-6-14(7-11-17)13-19-16-8-9-16/h6-7,10-11,15-16,18-19H,1-5,8-9,12-13H2.
What are the key properties of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65319734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).