3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

C16H34N2 — CID 79409031

IUPAC3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3
InChIKeyHPBRISXNEDDKRO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds6

About 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79409031) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID79409031
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3
InChIKeyHPBRISXNEDDKRO-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 79409031) is 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is CC(C)NCC(C)C(C)N(C)C1CCCCCC1.
What is the InChIKey of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is HPBRISXNEDDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79409031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).