cycloheptanamine chloride

C7H15ClN- — CID 3085403

IUPACcycloheptanamine chloride
SMILESNC1CCCCCC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H/p-1
InChIKeyPVXWLXWTEKCYGD-UHFFFAOYSA-M
MW148.66 g/mol
LogP-1.33
Rot. Bonds

About cycloheptanamine chloride

cycloheptanamine chloride (PubChem CID 3085403) has the molecular formula C7H15ClN- and a molecular weight of 148.66 g/mol. Its IUPAC name is cycloheptanamine chloride.

Molecular Properties

Compound Namecycloheptanamine chloride
PubChem CID3085403
Molecular FormulaC7H15ClN-
Molecular Weight148.66 g/mol
Exact Mass148.09
IUPAC Namecycloheptanamine chloride
SMILESNC1CCCCCC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H/p-1
InChIKeyPVXWLXWTEKCYGD-UHFFFAOYSA-M
XLogP-1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptanamine chloride?
The IUPAC name of cycloheptanamine chloride (CID 3085403) is cycloheptanamine chloride.
What is the SMILES notation for cycloheptanamine chloride?
The canonical SMILES for cycloheptanamine chloride is NC1CCCCCC1.[Cl-].
What is the InChIKey of cycloheptanamine chloride?
The InChIKey is PVXWLXWTEKCYGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H/p-1.
What are the key properties of cycloheptanamine chloride?
cycloheptanamine chloride has a molecular weight of 148.66 g/mol, XLogP of -1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanamine chloride is sourced from PubChem (CID 3085403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).