N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine

C18H40N2 — CID 63493237

IUPACN-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCCN(CC(C)(CCC)CNCCC)C(C)CC
InChIInChI=1S/C18H40N2/c1-7-11-14-20(17(5)10-4)16-18(6,12-8-2)15-19-13-9-3/h17,19H,7-16H2,1-6H3
InChIKeyZKPTZZLIIQHYFA-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds13

About N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine

N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine (PubChem CID 63493237) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
PubChem CID63493237
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCCN(CC(C)(CCC)CNCCC)C(C)CC
InChIInChI=1S/C18H40N2/c1-7-11-14-20(17(5)10-4)16-18(6,12-8-2)15-19-13-9-3/h17,19H,7-16H2,1-6H3
InChIKeyZKPTZZLIIQHYFA-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 62256297
2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
CID 62260774
1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
CID 66453228
N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
CID 79490735
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
3-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64827631
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
CID 63483398

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine (CID 63493237) is N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine is CCCCN(CC(C)(CCC)CNCCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine?
The InChIKey is ZKPTZZLIIQHYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-7-11-14-20(17(5)10-4)16-18(6,12-8-2)15-19-13-9-3/h17,19H,7-16H2,1-6H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine?
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 13 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-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63493237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).