N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine

C18H32N2 — CID 20728490

IUPACN'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
SMILESCCC(C)N(CC)CCCCCNc1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-5-17(4)20(6-2)14-9-7-8-13-19-18-12-10-11-16(3)15-18/h10-12,15,17,19H,5-9,13-14H2,1-4H3
InChIKeyOKFBINWFJSSIGJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.70
Rot. Bonds10

About N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine

N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine (PubChem CID 20728490) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
PubChem CID20728490
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
SMILESCCC(C)N(CC)CCCCCNc1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-5-17(4)20(6-2)14-9-7-8-13-19-18-12-10-11-16(3)15-18/h10-12,15,17,19H,5-9,13-14H2,1-4H3
InChIKeyOKFBINWFJSSIGJ-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
CID 21333821
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
N-butan-2-yl-N-ethyl-4-(3-methylphenoxy)butan-1-amine
CID 20829003
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
6-(3-methylanilino)hexan-3-one
CID 10798292

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine (CID 20728490) is N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine is CCC(C)N(CC)CCCCCNc1cccc(C)c1.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine?
The InChIKey is OKFBINWFJSSIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-17(4)20(6-2)14-9-7-8-13-19-18-12-10-11-16(3)15-18/h10-12,15,17,19H,5-9,13-14H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine?
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 20728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).