cis-(1S,2R)-cycloheptane-1,2-diamine

C7H16N2 — CID 18345867

IUPACcis-(1S,2R)-cycloheptane-1,2-diamine
SMILESN[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5,8-9H2/t6-,7+
InChIKeyDBBUVLSRTWYISN-KNVOCYPGSA-N
MW128.22 g/mol
LogP0.61
Rot. Bonds

About cis-(1S,2R)-cycloheptane-1,2-diamine

cis-(1S,2R)-cycloheptane-1,2-diamine (PubChem CID 18345867) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1S,2R)-cycloheptane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-cycloheptane-1,2-diamine
PubChem CID18345867
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namecis-(1S,2R)-cycloheptane-1,2-diamine
SMILESN[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5,8-9H2/t6-,7+
InChIKeyDBBUVLSRTWYISN-KNVOCYPGSA-N
XLogP0.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-cycloheptane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-cycloheptane-1,2-diamine (CID 18345867) is cis-(1S,2R)-cycloheptane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-cycloheptane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-cycloheptane-1,2-diamine is N[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-cycloheptane-1,2-diamine?
The InChIKey is DBBUVLSRTWYISN-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H16N2/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5,8-9H2/t6-,7+.
What are the key properties of cis-(1S,2R)-cycloheptane-1,2-diamine?
cis-(1S,2R)-cycloheptane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-cycloheptane-1,2-diamine is sourced from PubChem (CID 18345867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).