2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine

C12H24N2 — CID 63626192

IUPAC2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\N1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-10-6-5-8-14(9-7-10)11(13)12(2,3)4/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyXQSZDAIGHDDBDS-QBFSEMIESA-N
MW196.34 g/mol
LogP3.13
Rot. Bonds

About 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine

2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine (PubChem CID 63626192) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine
PubChem CID63626192
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\N1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-10-6-5-8-14(9-7-10)11(13)12(2,3)4/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyXQSZDAIGHDDBDS-QBFSEMIESA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine (CID 63626192) is 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine is [H]/N=C(\N1CCCC(C)CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine?
The InChIKey is XQSZDAIGHDDBDS-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2/c1-10-6-5-8-14(9-7-10)11(13)12(2,3)4/h10,13H,5-9H2,1-4H3/b13-11-.
What are the key properties of 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine?
2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine has a molecular weight of 196.34 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylazepan-1-yl)propan-1-imine is sourced from PubChem (CID 63626192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).