3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine

C14H30N2 — CID 64724227

IUPAC3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine
SMILESCCCN(CCC)C1C(C)CC(C)CC1N
InChIInChI=1S/C14H30N2/c1-5-7-16(8-6-2)14-12(4)9-11(3)10-13(14)15/h11-14H,5-10,15H2,1-4H3
InChIKeyOMQVWHCEZDERTD-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine

3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine (PubChem CID 64724227) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine
PubChem CID64724227
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine
SMILESCCCN(CCC)C1C(C)CC(C)CC1N
InChIInChI=1S/C14H30N2/c1-5-7-16(8-6-2)14-12(4)9-11(3)10-13(14)15/h11-14H,5-10,15H2,1-4H3
InChIKeyOMQVWHCEZDERTD-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,3,5-trimethyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 64723008
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
2-N-(3-methoxypropyl)-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751365
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
CID 61440402
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
2,4-dimethylcyclohexan-1-amine
CID 14675373

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine?
The IUPAC name of 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine (CID 64724227) is 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine.
What is the SMILES notation for 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine?
The canonical SMILES for 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine is CCCN(CCC)C1C(C)CC(C)CC1N.
What is the InChIKey of 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine?
The InChIKey is OMQVWHCEZDERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-16(8-6-2)14-12(4)9-11(3)10-13(14)15/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine?
3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).