4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine

C19H32N2 — CID 79116500

IUPAC4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-12-21(19-10-8-18(20)9-11-19)16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12,20H2,1-4H3
InChIKeyFCPBQAPIUVFMSY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.35
Rot. Bonds5

About 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79116500) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79116500
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-12-21(19-10-8-18(20)9-11-19)16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12,20H2,1-4H3
InChIKeyFCPBQAPIUVFMSY-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-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol
CID 79113198
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 106758695
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (CID 79116500) is 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1ccc(C)c(C)c1.
What is the InChIKey of 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is FCPBQAPIUVFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-21(19-10-8-18(20)9-11-19)16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12,20H2,1-4H3.
What are the key properties of 4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[1-(3,4-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-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79116500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).