1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine

C19H34N2 — CID 63404265

IUPAC1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
SMILESCCCCN(C(C)CC)C(c1ccccc1C)C(N)CC
InChIInChI=1S/C19H34N2/c1-6-9-14-21(16(5)7-2)19(18(20)8-3)17-13-11-10-12-15(17)4/h10-13,16,18-19H,6-9,14,20H2,1-5H3
InChIKeyUKAXZQQMQVZECS-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.67
Rot. Bonds9

About 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine

1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine (PubChem CID 63404265) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
PubChem CID63404265
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
SMILESCCCCN(C(C)CC)C(c1ccccc1C)C(N)CC
InChIInChI=1S/C19H34N2/c1-6-9-14-21(16(5)7-2)19(18(20)8-3)17-13-11-10-12-15(17)4/h10-13,16,18-19H,6-9,14,20H2,1-5H3
InChIKeyUKAXZQQMQVZECS-UHFFFAOYSA-N
XLogP4.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
1-N-methyl-1-(2-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472040
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
1-butyl-1-ethyl-3-[1-(2-methylphenyl)ethyl]urea
CID 86998783
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine (CID 63404265) is 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine is CCCCN(C(C)CC)C(c1ccccc1C)C(N)CC.
What is the InChIKey of 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine?
The InChIKey is UKAXZQQMQVZECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-9-14-21(16(5)7-2)19(18(20)8-3)17-13-11-10-12-15(17)4/h10-13,16,18-19H,6-9,14,20H2,1-5H3.
What are the key properties of 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine?
1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 63404265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).