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

C19H34N2 — CID 115561867

IUPACN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(CN2CC3CCCC3C2)CC1
InChIInChI=1S/C19H34N2/c1-15-7-9-19(10-8-15,13-20-18-5-6-18)14-21-11-16-3-2-4-17(16)12-21/h15-18,20H,2-14H2,1H3
InChIKeyXCBQLYKFKWQKHE-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.67
Rot. Bonds5

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

N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 115561867) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID115561867
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(CN2CC3CCCC3C2)CC1
InChIInChI=1S/C19H34N2/c1-15-7-9-19(10-8-15,13-20-18-5-6-18)14-21-11-16-3-2-4-17(16)12-21/h15-18,20H,2-14H2,1H3
InChIKeyXCBQLYKFKWQKHE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
CID 115442724
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexane-1-carbaldehyde
CID 113336149
N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 113336168

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 115561867) is N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)(CN2CC3CCCC3C2)CC1.
What is the InChIKey of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is XCBQLYKFKWQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15-7-9-19(10-8-15,13-20-18-5-6-18)14-21-11-16-3-2-4-17(16)12-21/h15-18,20H,2-14H2,1H3.
What are the key properties of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 290.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 115561867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).