1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine

C14H29N3 — CID 64751765

IUPAC1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CC(C)C(N2CCC(N(C)C)C2)C(N)C1
InChIInChI=1S/C14H29N3/c1-10-7-11(2)14(13(15)8-10)17-6-5-12(9-17)16(3)4/h10-14H,5-9,15H2,1-4H3
InChIKeySCMKKQFVAVQJAM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.38
Rot. Bonds2

About 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine

1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 64751765) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID64751765
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CC(C)C(N2CCC(N(C)C)C2)C(N)C1
InChIInChI=1S/C14H29N3/c1-10-7-11(2)14(13(15)8-10)17-6-5-12(9-17)16(3)4/h10-14H,5-9,15H2,1-4H3
InChIKeySCMKKQFVAVQJAM-UHFFFAOYSA-N
XLogP1.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 64752552
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
2-(3-ethylpiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64723014
1-(2-aminocyclopentyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163808
N,N-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidin-3-amine
CID 81458935
3,5-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexan-1-amine
CID 102743521
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-amine
CID 63996480
2-(2-ethylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64751329
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 79619325

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine (CID 64751765) is 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine is CC1CC(C)C(N2CCC(N(C)C)C2)C(N)C1.
What is the InChIKey of 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is SCMKKQFVAVQJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-10-7-11(2)14(13(15)8-10)17-6-5-12(9-17)16(3)4/h10-14H,5-9,15H2,1-4H3.
What are the key properties of 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine?
1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 64751765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).