N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

C15H22NP — CID 144873874

IUPACN-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)C1(c2cccc(C3(NP)CC3)c2)CC1
InChIInChI=1S/C15H22NP/c1-11(2)14(6-7-14)12-4-3-5-13(10-12)15(16-17)8-9-15/h3-5,10-11,16H,6-9,17H2,1-2H3
InChIKeyRWVSPZNEZKQMTF-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.74
Rot. Bonds4

About N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 144873874) has the molecular formula C15H22NP and a molecular weight of 247.32 g/mol. Its IUPAC name is N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID144873874
Molecular FormulaC15H22NP
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)C1(c2cccc(C3(NP)CC3)c2)CC1
InChIInChI=1S/C15H22NP/c1-11(2)14(6-7-14)12-4-3-5-13(10-12)15(16-17)8-9-15/h3-5,10-11,16H,6-9,17H2,1-2H3
InChIKeyRWVSPZNEZKQMTF-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (CID 144873874) is N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is CC(C)C1(c2cccc(C3(NP)CC3)c2)CC1.
What is the InChIKey of N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is RWVSPZNEZKQMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NP/c1-11(2)14(6-7-14)12-4-3-5-13(10-12)15(16-17)8-9-15/h3-5,10-11,16H,6-9,17H2,1-2H3.
What are the key properties of N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 144873874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).