trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine

C11H20N2 — CID 24882143

IUPACtrans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
SMILESC=CCN(CC=C)[C@@H]1CCC[C@H]1N
InChIInChI=1S/C11H20N2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12/h3-4,10-11H,1-2,5-9,12H2/t10-,11-/m1/s1
InChIKeyWYXADHFVZJUXPM-GHMZBOCLSA-N
MW180.30 g/mol
LogP1.54
Rot. Bonds5

About trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine

trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine (PubChem CID 24882143) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
PubChem CID24882143
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Nametrans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
SMILESC=CCN(CC=C)[C@@H]1CCC[C@H]1N
InChIInChI=1S/C11H20N2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12/h3-4,10-11H,1-2,5-9,12H2/t10-,11-/m1/s1
InChIKeyWYXADHFVZJUXPM-GHMZBOCLSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine (CID 24882143) is trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine is C=CCN(CC=C)[C@@H]1CCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
The InChIKey is WYXADHFVZJUXPM-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12/h3-4,10-11H,1-2,5-9,12H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine?
trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine has a molecular weight of 180.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,1-N-bis(prop-2-enyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 24882143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).