1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine

C13H18N2 — CID 71553655

IUPAC1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C13H18N2/c14-10-6-11(7-10)15-13-8-12(13)9-4-2-1-3-5-9/h1-5,10-13,15H,6-8,14H2/t10?,11?,12-,13+/m1/s1
InChIKeyMDWANQHRPJNECZ-TUUUFIMRSA-N
MW202.30 g/mol
LogP1.62
Rot. Bonds3

About 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine

1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine (PubChem CID 71553655) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine
PubChem CID71553655
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C13H18N2/c14-10-6-11(7-10)15-13-8-12(13)9-4-2-1-3-5-9/h1-5,10-13,15H,6-8,14H2/t10?,11?,12-,13+/m1/s1
InChIKeyMDWANQHRPJNECZ-TUUUFIMRSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine (CID 71553655) is 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine is NC1CC(N[C@H]2C[C@@H]2c2ccccc2)C1.
What is the InChIKey of 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine?
The InChIKey is MDWANQHRPJNECZ-TUUUFIMRSA-N. The full InChI is InChI=1S/C13H18N2/c14-10-6-11(7-10)15-13-8-12(13)9-4-2-1-3-5-9/h1-5,10-13,15H,6-8,14H2/t10?,11?,12-,13+/m1/s1.
What are the key properties of 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine?
1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine has a molecular weight of 202.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S,2R)-2-phenylcyclopropyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 71553655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).