5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine

C14H26N3P — CID 123292671

IUPAC5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
SMILESCCc1ncc(C2CCCCC(NP)CCC2)[nH]1
InChIInChI=1S/C14H26N3P/c1-2-14-15-10-13(16-14)11-6-3-4-8-12(17-18)9-5-7-11/h10-12,17H,2-9,18H2,1H3,(H,15,16)
InChIKeyHNRZSMZRYDXTDD-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.55
Rot. Bonds3

About 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine

5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine (PubChem CID 123292671) has the molecular formula C14H26N3P and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine.

Molecular Properties

Compound Name5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
PubChem CID123292671
Molecular FormulaC14H26N3P
Molecular Weight267.36 g/mol
Exact Mass267.19
IUPAC Name5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
SMILESCCc1ncc(C2CCCCC(NP)CCC2)[nH]1
InChIInChI=1S/C14H26N3P/c1-2-14-15-10-13(16-14)11-6-3-4-8-12(17-18)9-5-7-11/h10-12,17H,2-9,18H2,1H3,(H,15,16)
InChIKeyHNRZSMZRYDXTDD-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 114998469
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine
CID 114997045
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
CID 116880941
methyl 3-(5-cyclohexyl-1H-imidazol-2-yl)propanoate
CID 116880459
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
5-cyclohexyl-2-methoxy-1H-imidazole
CID 116883780
4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
CID 116877919
2-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 116876814
2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide
CID 126658019

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine?
The IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine (CID 123292671) is 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine.
What is the SMILES notation for 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine?
The canonical SMILES for 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine is CCc1ncc(C2CCCCC(NP)CCC2)[nH]1.
What is the InChIKey of 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine?
The InChIKey is HNRZSMZRYDXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3P/c1-2-14-15-10-13(16-14)11-6-3-4-8-12(17-18)9-5-7-11/h10-12,17H,2-9,18H2,1H3,(H,15,16).
What are the key properties of 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine?
5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine is sourced from PubChem (CID 123292671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).