4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine

C15H22N2 — CID 71554173

IUPAC4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m1/s1
InChIKeyALHBJBCQLJZYON-CVSAEHQPSA-N
MW230.36 g/mol
LogP2.40
Rot. Bonds3

About 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine

4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine (PubChem CID 71554173) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
PubChem CID71554173
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m1/s1
InChIKeyALHBJBCQLJZYON-CVSAEHQPSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine (CID 71554173) is 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine is NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is ALHBJBCQLJZYON-CVSAEHQPSA-N. The full InChI is InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m1/s1.
What are the key properties of 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 230.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71554173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).