4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine

C19H32N2 — CID 79113200

IUPAC4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1cc(C)ccc1C
InChIInChI=1S/C19H32N2/c1-5-12-21(18-10-8-17(20)9-11-18)16(4)19-13-14(2)6-7-15(19)3/h6-7,13,16-18H,5,8-12,20H2,1-4H3
InChIKeyJOJAMXPQZFTFQJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.35
Rot. Bonds5

About 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79113200) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79113200
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1cc(C)ccc1C
InChIInChI=1S/C19H32N2/c1-5-12-21(18-10-8-17(20)9-11-18)16(4)19-13-14(2)6-7-15(19)3/h6-7,13,16-18H,5,8-12,20H2,1-4H3
InChIKeyJOJAMXPQZFTFQJ-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115906
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
CID 65058262
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 106758695
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
CID 79112754
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (CID 79113200) is 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1cc(C)ccc1C.
What is the InChIKey of 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is JOJAMXPQZFTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-21(18-10-8-17(20)9-11-18)16(4)19-13-14(2)6-7-15(19)3/h6-7,13,16-18H,5,8-12,20H2,1-4H3.
What are the key properties of 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79113200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).