1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine

C18H32N2 — CID 106799445

IUPAC1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
SMILESCCCNC(CC)CCCN(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-5-13-19-17(6-2)11-9-14-20(7-3)18-12-8-10-16(4)15-18/h8,10,12,15,17,19H,5-7,9,11,13-14H2,1-4H3
InChIKeyKPURDLUNGFIDOZ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.38
Rot. Bonds10

About 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine

1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine (PubChem CID 106799445) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
PubChem CID106799445
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
SMILESCCCNC(CC)CCCN(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-5-13-19-17(6-2)11-9-14-20(7-3)18-12-8-10-16(4)15-18/h8,10,12,15,17,19H,5-7,9,11,13-14H2,1-4H3
InChIKeyKPURDLUNGFIDOZ-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide
CID 63054940
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
CID 138691667
CID 138691667
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
N,N-dibutyl-3-methylaniline
CID 15332677
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile
CID 63030054
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine (CID 106799445) is 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine is CCCNC(CC)CCCN(CC)c1cccc(C)c1.
What is the InChIKey of 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine?
The InChIKey is KPURDLUNGFIDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-13-19-17(6-2)11-9-14-20(7-3)18-12-8-10-16(4)15-18/h8,10,12,15,17,19H,5-7,9,11,13-14H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine?
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine is sourced from PubChem (CID 106799445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).