1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

C16H33N3 — CID 64746041

IUPAC1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCN2CCCC2)CC1C
InChIInChI=1S/C16H33N3/c1-14-6-7-16(13-17,12-15(14)2)18(3)10-11-19-8-4-5-9-19/h14-15H,4-13,17H2,1-3H3
InChIKeyKBHIFAZECPXIGP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds5

About 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (PubChem CID 64746041) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
PubChem CID64746041
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCN2CCCC2)CC1C
InChIInChI=1S/C16H33N3/c1-14-6-7-16(13-17,12-15(14)2)18(3)10-11-19-8-4-5-9-19/h14-15H,4-13,17H2,1-3H3
InChIKeyKBHIFAZECPXIGP-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
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-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 63206903
3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 79950113
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 62010329
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 64745055
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64747023
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64746825
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (CID 64746041) is 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is CC1CCC(CN)(N(C)CCN2CCCC2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The InChIKey is KBHIFAZECPXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14-6-7-16(13-17,12-15(14)2)18(3)10-11-19-8-4-5-9-19/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 64746041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).