5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine

C16H38N4O — CID 88716268

IUPAC5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine
SMILESCC(CN(C)C)C(N)CCOCCC(N)C(C)CN(C)C
InChIInChI=1S/C16H38N4O/c1-13(11-19(3)4)15(17)7-9-21-10-8-16(18)14(2)12-20(5)6/h13-16H,7-12,17-18H2,1-6H3
InChIKeyNVLPNIORJDEWAT-UHFFFAOYSA-N
MW302.51 g/mol
LogP0.83
Rot. Bonds12

About 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine

5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine (PubChem CID 88716268) has the molecular formula C16H38N4O and a molecular weight of 302.51 g/mol. Its IUPAC name is 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine
PubChem CID88716268
Molecular FormulaC16H38N4O
Molecular Weight302.51 g/mol
Exact Mass302.30
IUPAC Name5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine
SMILESCC(CN(C)C)C(N)CCOCCC(N)C(C)CN(C)C
InChIInChI=1S/C16H38N4O/c1-13(11-19(3)4)15(17)7-9-21-10-8-16(18)14(2)12-20(5)6/h13-16H,7-12,17-18H2,1-6H3
InChIKeyNVLPNIORJDEWAT-UHFFFAOYSA-N
XLogP0.83
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine?
The IUPAC name of 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine (CID 88716268) is 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine.
What is the SMILES notation for 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine?
The canonical SMILES for 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine is CC(CN(C)C)C(N)CCOCCC(N)C(C)CN(C)C.
What is the InChIKey of 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine?
The InChIKey is NVLPNIORJDEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4O/c1-13(11-19(3)4)15(17)7-9-21-10-8-16(18)14(2)12-20(5)6/h13-16H,7-12,17-18H2,1-6H3.
What are the key properties of 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine?
5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine has a molecular weight of 302.51 g/mol, XLogP of 0.83, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-5-(dimethylamino)-4-methylpentoxy]-1-N,1-N,2-trimethylpentane-1,3-diamine is sourced from PubChem (CID 88716268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).