4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one

C15H29N3O — CID 168658687

IUPAC4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1(C)CC(N)CC(C)(CN2CC(CN)CC2=O)C1
InChIInChI=1S/C15H29N3O/c1-14(2)5-12(17)6-15(3,9-14)10-18-8-11(7-16)4-13(18)19/h11-12H,4-10,16-17H2,1-3H3
InChIKeyRIVPMQOBGYZGKV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.34
Rot. Bonds3

About 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 168658687) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID168658687
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1(C)CC(N)CC(C)(CN2CC(CN)CC2=O)C1
InChIInChI=1S/C15H29N3O/c1-14(2)5-12(17)6-15(3,9-14)10-18-8-11(7-16)4-13(18)19/h11-12H,4-10,16-17H2,1-3H3
InChIKeyRIVPMQOBGYZGKV-UHFFFAOYSA-N
XLogP1.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
CID 168698669
4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168659236
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile
CID 168658823
methanamine;3,3,5,5-tetramethylcyclohexan-1-amine
CID 144937485
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168659646
4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 82508028
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662216
1-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]-4-chloropyrrolidin-2-one
CID 168686759

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one (CID 168658687) is 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one is CC1(C)CC(N)CC(C)(CN2CC(CN)CC2=O)C1.
What is the InChIKey of 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is RIVPMQOBGYZGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)5-12(17)6-15(3,9-14)10-18-8-11(7-16)4-13(18)19/h11-12H,4-10,16-17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 267.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168658687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).