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

C14H30N2 — CID 123412238

IUPAC4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine
SMILESCC/C(C)=N/CC(C)(CC)CC(C)(C)CN
InChIInChI=1S/C14H30N2/c1-7-12(3)16-11-14(6,8-2)9-13(4,5)10-15/h7-11,15H2,1-6H3/b16-12+
InChIKeyGUZWNBSXIZHDFE-FOWTUZBSSA-N
MW226.41 g/mol
LogP3.65
Rot. Bonds7

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

4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine (PubChem CID 123412238) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine.

Molecular Properties

Compound Name4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine
PubChem CID123412238
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine
SMILESCC/C(C)=N/CC(C)(CC)CC(C)(C)CN
InChIInChI=1S/C14H30N2/c1-7-12(3)16-11-14(6,8-2)9-13(4,5)10-15/h7-11,15H2,1-6H3/b16-12+
InChIKeyGUZWNBSXIZHDFE-FOWTUZBSSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.65
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

5-tert-butyl-4-methyl-3,4-dihydro-2H-pyrrole
CID 55264230
3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
CID 134923809
6,6,7-Trimethyl-2,3,4,5-tetrahydroazepine
CID 134923946
3,5-Diethyl-3-methyl-2,4-dihydropyrrole
CID 134925625
5,5-diethyl-6-methyl-3,4-dihydro-2H-pyridine
CID 134988972
3,3,5-Trimethyl-2,4-dihydropyrrol-2-amine
CID 14638040
2,3,3,5,5-Pentamethyl-3,4,5,6-tetrahydropyridine
CID 20572047
6-ethyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
CID 21721302
3-(5,6-dimethyl-3,4-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 21817485
[(5S)-4,6-dimethyl-2,3,4,5-tetrahydropyridin-5-yl]methanamine
CID 89721759
4-ethyl-4,6-dimethyl-3,5-dihydro-2H-pyridine
CID 90734653
3-Imino-5,5-dimethylhexan-2-amine
CID 90913913

Frequently Asked Questions

What is the IUPAC name of 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine?
The IUPAC name of 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine (CID 123412238) is 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine.
What is the SMILES notation for 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine?
The canonical SMILES for 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine is CC/C(C)=N/CC(C)(CC)CC(C)(C)CN.
What is the InChIKey of 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine?
The InChIKey is GUZWNBSXIZHDFE-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-12(3)16-11-14(6,8-2)9-13(4,5)10-15/h7-11,15H2,1-6H3/b16-12+.
What are the key properties of 4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine?
4-[(butan-2-ylideneamino)methyl]-2,2,4-trimethylhexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.65, 7 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]-2,2,4-trimethylhexan-1-amine is sourced from PubChem (CID 123412238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).