2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine

C16H34N2 — CID 114100507

IUPAC2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine
SMILESCC1CCCC(NCC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13-6-5-7-15(9-8-13)18-12-14(11-17)10-16(2,3)4/h13-15,18H,5-12,17H2,1-4H3
InChIKeyJVZPRHRHGSIHKT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine (PubChem CID 114100507) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine
PubChem CID114100507
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine
SMILESCC1CCCC(NCC(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13-6-5-7-15(9-8-13)18-12-14(11-17)10-16(2,3)4/h13-15,18H,5-12,17H2,1-4H3
InChIKeyJVZPRHRHGSIHKT-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine (CID 114100507) is 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine is CC1CCCC(NCC(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine?
The InChIKey is JVZPRHRHGSIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13-6-5-7-15(9-8-13)18-12-14(11-17)10-16(2,3)4/h13-15,18H,5-12,17H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine is sourced from PubChem (CID 114100507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).