2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine

C16H34N2 — CID 103070964

IUPAC2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34N2/c1-8-16(9-2)18(11-13(3)4)12-15(7)10-17-14(5)6/h13-14,16-17H,7-12H2,1-6H3
InChIKeyHNKHTYRKJBRYQQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.69
Rot. Bonds10

About 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine

2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103070964) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103070964
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34N2/c1-8-16(9-2)18(11-13(3)4)12-15(7)10-17-14(5)6/h13-14,16-17H,7-12H2,1-6H3
InChIKeyHNKHTYRKJBRYQQ-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.69
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-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 103070963
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
CID 79483387
N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070705
N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103071342
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074654

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine (CID 103070964) is 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(CC(C)C)C(CC)CC.
What is the InChIKey of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is HNKHTYRKJBRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-16(9-2)18(11-13(3)4)12-15(7)10-17-14(5)6/h13-14,16-17H,7-12H2,1-6H3.
What are the key properties of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103070964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).