1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

C17H35N3 — CID 63206903

IUPAC1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)CCN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-6-16-7-9-17(15-18,10-8-16)19(2)13-14-20-11-4-5-12-20/h16H,3-15,18H2,1-2H3
InChIKeyPBBXYENCUVMUJD-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds7

About 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (PubChem CID 63206903) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
PubChem CID63206903
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)CCN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-6-16-7-9-17(15-18,10-8-16)19(2)13-14-20-11-4-5-12-20/h16H,3-15,18H2,1-2H3
InChIKeyPBBXYENCUVMUJD-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 106661226
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 64746041
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 62010329
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 79950113

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (CID 63206903) is 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is CCCC1CCC(CN)(N(C)CCN2CCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The InChIKey is PBBXYENCUVMUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-6-16-7-9-17(15-18,10-8-16)19(2)13-14-20-11-4-5-12-20/h16H,3-15,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 63206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).