1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine

C14H32N2O — CID 81101024

IUPAC1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)CCCOC
InChIInChI=1S/C14H32N2O/c1-4-6-10-16(11-7-5-2)13-14(15)9-8-12-17-3/h14H,4-13,15H2,1-3H3
InChIKeyITTQLSWFIUJYEW-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds12

About 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine

1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine (PubChem CID 81101024) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
PubChem CID81101024
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)CCCOC
InChIInChI=1S/C14H32N2O/c1-4-6-10-16(11-7-5-2)13-14(15)9-8-12-17-3/h14H,4-13,15H2,1-3H3
InChIKeyITTQLSWFIUJYEW-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-methoxyheptan-4-amine
CID 43370439
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
1-methoxy-7-methyloctan-4-amine
CID 62603924
5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81102660
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine?
The IUPAC name of 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine (CID 81101024) is 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine is CCCCN(CCCC)CC(N)CCCOC.
What is the InChIKey of 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine?
The InChIKey is ITTQLSWFIUJYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-4-6-10-16(11-7-5-2)13-14(15)9-8-12-17-3/h14H,4-13,15H2,1-3H3.
What are the key properties of 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine?
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine is sourced from PubChem (CID 81101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).