1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine

C12H28N2 — CID 62423084

IUPAC1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
SMILESCCCN(CCC)C(C)CCCNC
InChIInChI=1S/C12H28N2/c1-5-10-14(11-6-2)12(3)8-7-9-13-4/h12-13H,5-11H2,1-4H3
InChIKeyHIHIXEYNIIGZJQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine

1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine (PubChem CID 62423084) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
PubChem CID62423084
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
SMILESCCCN(CCC)C(C)CCCNC
InChIInChI=1S/C12H28N2/c1-5-10-14(11-6-2)12(3)8-7-9-13-4/h12-13H,5-11H2,1-4H3
InChIKeyHIHIXEYNIIGZJQ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine (CID 62423084) is 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine is CCCN(CCC)C(C)CCCNC.
What is the InChIKey of 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine?
The InChIKey is HIHIXEYNIIGZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-10-14(11-6-2)12(3)8-7-9-13-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine?
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine is sourced from PubChem (CID 62423084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).