3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine

C14H29N — CID 123825886

IUPAC3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine
SMILES[H]/N=C(\C)C(C)C(CC(C)C)C(C)(C)CC
InChIInChI=1S/C14H29N/c1-8-14(6,7)13(9-10(2)3)11(4)12(5)15/h10-11,13,15H,8-9H2,1-7H3/b15-12+
InChIKeyFGCBOTSAHOZLSH-NTCAYCPXSA-N
MW211.39 g/mol
LogP4.76
Rot. Bonds6

About 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine

3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine (PubChem CID 123825886) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine.

Molecular Properties

Compound Name3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine
PubChem CID123825886
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine
SMILES[H]/N=C(\C)C(C)C(CC(C)C)C(C)(C)CC
InChIInChI=1S/C14H29N/c1-8-14(6,7)13(9-10(2)3)11(4)12(5)15/h10-11,13,15H,8-9H2,1-7H3/b15-12+
InChIKeyFGCBOTSAHOZLSH-NTCAYCPXSA-N
XLogP4.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-Propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine
CID 138661138
2,6-Dimethylheptan-4-imine
CID 333868
1-Isopropyl-2,2-dimethylpropylideneamine
CID 550754
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
(3R)-2,2,3-trimethylcyclopentan-1-imine
CID 135012155
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245
1-(1,3,3,5-Tetramethylcyclohexyl)ethanimine
CID 20692070
2,2-Dimethylhexan-3-imine
CID 20702621

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine?
The IUPAC name of 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine (CID 123825886) is 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine.
What is the SMILES notation for 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine?
The canonical SMILES for 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine is [H]/N=C(\C)C(C)C(CC(C)C)C(C)(C)CC.
What is the InChIKey of 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine?
The InChIKey is FGCBOTSAHOZLSH-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H29N/c1-8-14(6,7)13(9-10(2)3)11(4)12(5)15/h10-11,13,15H,8-9H2,1-7H3/b15-12+.
What are the key properties of 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine?
3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine has a molecular weight of 211.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-4-(2-methylpropyl)heptan-2-imine is sourced from PubChem (CID 123825886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).