3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine

C15H31N3 — CID 81467887

IUPAC3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCC(N(C)C2(CN)CC(C)N(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-12-5-7-14(8-6-12)18(4)15(10-16)9-13(2)17(3)11-15/h12-14H,5-11,16H2,1-4H3
InChIKeyIUMOGJAESDFCKV-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine

3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine (PubChem CID 81467887) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
PubChem CID81467887
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCC(N(C)C2(CN)CC(C)N(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-12-5-7-14(8-6-12)18(4)15(10-16)9-13(2)17(3)11-15/h12-14H,5-11,16H2,1-4H3
InChIKeyIUMOGJAESDFCKV-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,N,1,5-tetramethylpyrrolidin-3-amine
CID 81467881
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1,5-dimethylpyrrolidin-3-amine
CID 81467476
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467482
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 62977319
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 81467794
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82734229
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 81468493
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine (CID 81467887) is 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine is CC1CCC(N(C)C2(CN)CC(C)N(C)C2)CC1.
What is the InChIKey of 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is IUMOGJAESDFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12-5-7-14(8-6-12)18(4)15(10-16)9-13(2)17(3)11-15/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 81467887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).