4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine

C15H32N2 — CID 123912194

IUPAC4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine
SMILESCC/C(C)=N/CC(C)(CC)CC(C)(CC)CN
InChIInChI=1S/C15H32N2/c1-7-13(4)17-12-15(6,9-3)10-14(5,8-2)11-16/h7-12,16H2,1-6H3/b17-13+
InChIKeyIOAOACXUMGVWQB-GHRIWEEISA-N
MW240.43 g/mol
LogP4.04
Rot. Bonds8

About 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine

4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine (PubChem CID 123912194) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine
PubChem CID123912194
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine
SMILESCC/C(C)=N/CC(C)(CC)CC(C)(CC)CN
InChIInChI=1S/C15H32N2/c1-7-13(4)17-12-15(6,9-3)10-14(5,8-2)11-16/h7-12,16H2,1-6H3/b17-13+
InChIKeyIOAOACXUMGVWQB-GHRIWEEISA-N
XLogP4.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
2-methyl-2-[(methylideneamino)methyl]butan-1-amine
CID 163789947
2-ethyl-2,5-dimethylhex-4-en-1-amine
CID 130514715
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
3-ethyl-3-methylpentane;methanol
CID 143799596
1-amino-2-methylpropan-2-ol;ethanol;tantalum
CID 174826952
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide
CID 126732276
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
ethane;3-ethyl-3-methylpentane
CID 158904304
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654

Frequently Asked Questions

What is the IUPAC name of 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine?
The IUPAC name of 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine (CID 123912194) is 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine.
What is the SMILES notation for 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine?
The canonical SMILES for 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine is CC/C(C)=N/CC(C)(CC)CC(C)(CC)CN.
What is the InChIKey of 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine?
The InChIKey is IOAOACXUMGVWQB-GHRIWEEISA-N. The full InChI is InChI=1S/C15H32N2/c1-7-13(4)17-12-15(6,9-3)10-14(5,8-2)11-16/h7-12,16H2,1-6H3/b17-13+.
What are the key properties of 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine?
4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine is sourced from PubChem (CID 123912194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).