(3-methylazepan-1-yl)phosphane

C7H16NP — CID 130426718

IUPAC(3-methylazepan-1-yl)phosphane
SMILESCC1CCCCN(P)C1
InChIInChI=1S/C7H16NP/c1-7-4-2-3-5-8(9)6-7/h7H,2-6,9H2,1H3
InChIKeyFOYCXCFUZWTNQS-UHFFFAOYSA-N
MW145.19 g/mol
LogP1.90
Rot. Bonds

About (3-methylazepan-1-yl)phosphane

(3-methylazepan-1-yl)phosphane (PubChem CID 130426718) has the molecular formula C7H16NP and a molecular weight of 145.19 g/mol. Its IUPAC name is (3-methylazepan-1-yl)phosphane.

Molecular Properties

Compound Name(3-methylazepan-1-yl)phosphane
PubChem CID130426718
Molecular FormulaC7H16NP
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name(3-methylazepan-1-yl)phosphane
SMILESCC1CCCCN(P)C1
InChIInChI=1S/C7H16NP/c1-7-4-2-3-5-8(9)6-7/h7H,2-6,9H2,1H3
InChIKeyFOYCXCFUZWTNQS-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-3-methylazepane
CID 142283412
methylcyclopentane
CID 7296
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
erbium;tris(methylcyclopentane)
CID 91996115
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
1,6-dimethylcycloundecane
CID 91298161

Frequently Asked Questions

What is the IUPAC name of (3-methylazepan-1-yl)phosphane?
The IUPAC name of (3-methylazepan-1-yl)phosphane (CID 130426718) is (3-methylazepan-1-yl)phosphane.
What is the SMILES notation for (3-methylazepan-1-yl)phosphane?
The canonical SMILES for (3-methylazepan-1-yl)phosphane is CC1CCCCN(P)C1.
What is the InChIKey of (3-methylazepan-1-yl)phosphane?
The InChIKey is FOYCXCFUZWTNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NP/c1-7-4-2-3-5-8(9)6-7/h7H,2-6,9H2,1H3.
What are the key properties of (3-methylazepan-1-yl)phosphane?
(3-methylazepan-1-yl)phosphane has a molecular weight of 145.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazepan-1-yl)phosphane is sourced from PubChem (CID 130426718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).