3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine

C8H21N2P — CID 88579983

IUPAC3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine
SMILESCCC(CCN(C)P)C(C)N
InChIInChI=1S/C8H21N2P/c1-4-8(7(2)9)5-6-10(3)11/h7-8H,4-6,9,11H2,1-3H3
InChIKeyBDIJFLUDPUCSHS-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.47
Rot. Bonds5

About 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine

3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine (PubChem CID 88579983) has the molecular formula C8H21N2P and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine
PubChem CID88579983
Molecular FormulaC8H21N2P
Molecular Weight176.24 g/mol
Exact Mass176.14
IUPAC Name3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine
SMILESCCC(CCN(C)P)C(C)N
InChIInChI=1S/C8H21N2P/c1-4-8(7(2)9)5-6-10(3)11/h7-8H,4-6,9,11H2,1-3H3
InChIKeyBDIJFLUDPUCSHS-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine?
The IUPAC name of 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine (CID 88579983) is 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine.
What is the SMILES notation for 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine?
The canonical SMILES for 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine is CCC(CCN(C)P)C(C)N.
What is the InChIKey of 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine?
The InChIKey is BDIJFLUDPUCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2P/c1-4-8(7(2)9)5-6-10(3)11/h7-8H,4-6,9,11H2,1-3H3.
What are the key properties of 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine?
3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine has a molecular weight of 176.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-methyl-1-N-phosphanylpentane-1,4-diamine is sourced from PubChem (CID 88579983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).