cycloheptanamine

C7H15N — CID 2899

IUPACcycloheptanamine
SMILESNC1CCCCCC1
InChIInChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKeyVXVVUHQULXCUPF-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.67
Rot. Bonds

About cycloheptanamine

cycloheptanamine (PubChem CID 2899) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is cycloheptanamine.

Molecular Properties

Compound Namecycloheptanamine
PubChem CID2899
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Namecycloheptanamine
SMILESNC1CCCCCC1
InChIInChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKeyVXVVUHQULXCUPF-UHFFFAOYSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptanamine?
The IUPAC name of cycloheptanamine (CID 2899) is cycloheptanamine.
What is the SMILES notation for cycloheptanamine?
The canonical SMILES for cycloheptanamine is NC1CCCCCC1.
What is the InChIKey of cycloheptanamine?
The InChIKey is VXVVUHQULXCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2.
What are the key properties of cycloheptanamine?
cycloheptanamine has a molecular weight of 113.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanamine is sourced from PubChem (CID 2899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).