N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

C15H32N2 — CID 103070057

IUPACN-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCCC)C(C)CC
InChIInChI=1S/C15H32N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13,15-16H,5,7-12H2,1-4,6H3
InChIKeySVAHVFOBEKQLKL-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds10

About N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103070057) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103070057
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCCC)C(C)CC
InChIInChI=1S/C15H32N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13,15-16H,5,7-12H2,1-4,6H3
InChIKeySVAHVFOBEKQLKL-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62411413
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068184
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
CID 103070042
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (CID 103070057) is N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(CCCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is SVAHVFOBEKQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13,15-16H,5,7-12H2,1-4,6H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 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-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103070057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).