N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine

C16H32N2 — CID 58249109

IUPACN-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine
SMILESCC/C(C)=N/C(C)CC(C)CC(C)/N=C(\C)CC
InChIInChI=1S/C16H32N2/c1-8-13(4)17-15(6)10-12(3)11-16(7)18-14(5)9-2/h12,15-16H,8-11H2,1-7H3/b17-13+,18-14+
InChIKeyGZOFKLHIWNPHMT-HBKJEHTGSA-N
MW252.45 g/mol
LogP4.92
Rot. Bonds8

About N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine

N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine (PubChem CID 58249109) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine
PubChem CID58249109
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine
SMILESCC/C(C)=N/C(C)CC(C)CC(C)/N=C(\C)CC
InChIInChI=1S/C16H32N2/c1-8-13(4)17-15(6)10-12(3)11-16(7)18-14(5)9-2/h12,15-16H,8-11H2,1-7H3/b17-13+,18-14+
InChIKeyGZOFKLHIWNPHMT-HBKJEHTGSA-N
XLogP4.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine?
The IUPAC name of N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine (CID 58249109) is N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine.
What is the SMILES notation for N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine?
The canonical SMILES for N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine is CC/C(C)=N/C(C)CC(C)CC(C)/N=C(\C)CC.
What is the InChIKey of N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine?
The InChIKey is GZOFKLHIWNPHMT-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H32N2/c1-8-13(4)17-15(6)10-12(3)11-16(7)18-14(5)9-2/h12,15-16H,8-11H2,1-7H3/b17-13+,18-14+.
What are the key properties of N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine?
N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine has a molecular weight of 252.45 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylideneamino)-4-methylheptan-2-yl]butan-2-imine is sourced from PubChem (CID 58249109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).