2,5-dimethylcycloheptane-1,1-diamine

C9H20N2 — CID 174899795

IUPAC2,5-dimethylcycloheptane-1,1-diamine
SMILESCC1CCC(C)C(N)(N)CC1
InChIInChI=1S/C9H20N2/c1-7-3-4-8(2)9(10,11)6-5-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyPWMOHPRUUYKVMV-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds

About 2,5-dimethylcycloheptane-1,1-diamine

2,5-dimethylcycloheptane-1,1-diamine (PubChem CID 174899795) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,5-dimethylcycloheptane-1,1-diamine.

Molecular Properties

Compound Name2,5-dimethylcycloheptane-1,1-diamine
PubChem CID174899795
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2,5-dimethylcycloheptane-1,1-diamine
SMILESCC1CCC(C)C(N)(N)CC1
InChIInChI=1S/C9H20N2/c1-7-3-4-8(2)9(10,11)6-5-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyPWMOHPRUUYKVMV-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcycloheptane-1,1-diamine?
The IUPAC name of 2,5-dimethylcycloheptane-1,1-diamine (CID 174899795) is 2,5-dimethylcycloheptane-1,1-diamine.
What is the SMILES notation for 2,5-dimethylcycloheptane-1,1-diamine?
The canonical SMILES for 2,5-dimethylcycloheptane-1,1-diamine is CC1CCC(C)C(N)(N)CC1.
What is the InChIKey of 2,5-dimethylcycloheptane-1,1-diamine?
The InChIKey is PWMOHPRUUYKVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-3-4-8(2)9(10,11)6-5-7/h7-8H,3-6,10-11H2,1-2H3.
What are the key properties of 2,5-dimethylcycloheptane-1,1-diamine?
2,5-dimethylcycloheptane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcycloheptane-1,1-diamine is sourced from PubChem (CID 174899795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).