N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C16H30N2 — CID 63243855

IUPACN-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC1CCC(CN2CCC(CNC3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-13-2-4-14(5-3-13)11-18-9-8-15(12-18)10-17-16-6-7-16/h13-17H,2-12H2,1H3
InChIKeyQWXDOMQATRLZGG-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 63243855) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID63243855
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC1CCC(CN2CCC(CNC3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-13-2-4-14(5-3-13)11-18-9-8-15(12-18)10-17-16-6-7-16/h13-17H,2-12H2,1H3
InChIKeyQWXDOMQATRLZGG-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63243856
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
CID 62556569
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
N-[[1-(3-methylcyclopentyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 114546859
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 63243855) is N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine is CC1CCC(CN2CCC(CNC3CC3)C2)CC1.
What is the InChIKey of N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is QWXDOMQATRLZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-2-4-14(5-3-13)11-18-9-8-15(12-18)10-17-16-6-7-16/h13-17H,2-12H2,1H3.
What are the key properties of N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63243855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).