cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine

C7H14N2 — CID 138599630

IUPACcis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine
SMILESC=CN[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C7H14N2/c1-2-9-7-5-3-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7+/m0/s1
InChIKeyDRUKHGVEINFDTH-NKWVEPMBSA-N
MW126.20 g/mol
LogP0.60
Rot. Bonds2

About cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine

cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine (PubChem CID 138599630) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine
PubChem CID138599630
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine
SMILESC=CN[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C7H14N2/c1-2-9-7-5-3-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7+/m0/s1
InChIKeyDRUKHGVEINFDTH-NKWVEPMBSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine (CID 138599630) is cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine is C=CN[C@@H]1CCC[C@@H]1N.
What is the InChIKey of cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine?
The InChIKey is DRUKHGVEINFDTH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-9-7-5-3-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine?
cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine is sourced from PubChem (CID 138599630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).