N-(2-dimethylphosphanylethyl)butan-1-amine

C8H20NP — CID 139967256

IUPACN-(2-dimethylphosphanylethyl)butan-1-amine
SMILESCCCCNCCP(C)C
InChIInChI=1S/C8H20NP/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3
InChIKeyJDGLZKWKEGVJEV-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.12
Rot. Bonds6

About N-(2-dimethylphosphanylethyl)butan-1-amine

N-(2-dimethylphosphanylethyl)butan-1-amine (PubChem CID 139967256) has the molecular formula C8H20NP and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(2-dimethylphosphanylethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-dimethylphosphanylethyl)butan-1-amine
PubChem CID139967256
Molecular FormulaC8H20NP
Molecular Weight161.23 g/mol
Exact Mass161.13
IUPAC NameN-(2-dimethylphosphanylethyl)butan-1-amine
SMILESCCCCNCCP(C)C
InChIInChI=1S/C8H20NP/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3
InChIKeyJDGLZKWKEGVJEV-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-dimethylphosphanylethyl)butan-1-amine?
The IUPAC name of N-(2-dimethylphosphanylethyl)butan-1-amine (CID 139967256) is N-(2-dimethylphosphanylethyl)butan-1-amine.
What is the SMILES notation for N-(2-dimethylphosphanylethyl)butan-1-amine?
The canonical SMILES for N-(2-dimethylphosphanylethyl)butan-1-amine is CCCCNCCP(C)C.
What is the InChIKey of N-(2-dimethylphosphanylethyl)butan-1-amine?
The InChIKey is JDGLZKWKEGVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NP/c1-4-5-6-9-7-8-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-dimethylphosphanylethyl)butan-1-amine?
N-(2-dimethylphosphanylethyl)butan-1-amine has a molecular weight of 161.23 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dimethylphosphanylethyl)butan-1-amine is sourced from PubChem (CID 139967256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).