1-heptylphosphol-2-amine

C11H20NP — CID 173085045

IUPAC1-heptylphosphol-2-amine
SMILESCCCCCCCp1cccc1N
InChIInChI=1S/C11H20NP/c1-2-3-4-5-6-9-13-10-7-8-11(13)12/h7-8,10H,2-6,9,12H2,1H3
InChIKeyLWCFUVMQURFPAF-UHFFFAOYSA-N
MW197.26 g/mol
LogP4.23
Rot. Bonds6

About 1-heptylphosphol-2-amine

1-heptylphosphol-2-amine (PubChem CID 173085045) has the molecular formula C11H20NP and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-heptylphosphol-2-amine.

Molecular Properties

Compound Name1-heptylphosphol-2-amine
PubChem CID173085045
Molecular FormulaC11H20NP
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name1-heptylphosphol-2-amine
SMILESCCCCCCCp1cccc1N
InChIInChI=1S/C11H20NP/c1-2-3-4-5-6-9-13-10-7-8-11(13)12/h7-8,10H,2-6,9,12H2,1H3
InChIKeyLWCFUVMQURFPAF-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptylphosphol-2-amine?
The IUPAC name of 1-heptylphosphol-2-amine (CID 173085045) is 1-heptylphosphol-2-amine.
What is the SMILES notation for 1-heptylphosphol-2-amine?
The canonical SMILES for 1-heptylphosphol-2-amine is CCCCCCCp1cccc1N.
What is the InChIKey of 1-heptylphosphol-2-amine?
The InChIKey is LWCFUVMQURFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NP/c1-2-3-4-5-6-9-13-10-7-8-11(13)12/h7-8,10H,2-6,9,12H2,1H3.
What are the key properties of 1-heptylphosphol-2-amine?
1-heptylphosphol-2-amine has a molecular weight of 197.26 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylphosphol-2-amine is sourced from PubChem (CID 173085045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).