4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine

C14H30N2 — CID 79112216

IUPAC4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)C(C)C
InChIInChI=1S/C14H30N2/c1-5-10-16(12(4)11(2)3)14-8-6-13(15)7-9-14/h11-14H,5-10,15H2,1-4H3
InChIKeyRMOKFIGAXRXMBQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds5

About 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112216) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112216
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)C(C)C
InChIInChI=1S/C14H30N2/c1-5-10-16(12(4)11(2)3)14-8-6-13(15)7-9-14/h11-14H,5-10,15H2,1-4H3
InChIKeyRMOKFIGAXRXMBQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-N-propylcyclobutanamine
CID 166157968
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111630
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
CID 79112315
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine (CID 79112216) is 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)C(C)C.
What is the InChIKey of 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is RMOKFIGAXRXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-10-16(12(4)11(2)3)14-8-6-13(15)7-9-14/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).