4-[benzyl(dimethylamino)amino]butan-1-amine

C13H23N3 — CID 143169694

IUPAC4-[benzyl(dimethylamino)amino]butan-1-amine
SMILESCN(C)N(CCCCN)Cc1ccccc1
InChIInChI=1S/C13H23N3/c1-15(2)16(11-7-6-10-14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,14H2,1-2H3
InChIKeyMDUPZXQEYQUPQL-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.70
Rot. Bonds7

About 4-[benzyl(dimethylamino)amino]butan-1-amine

4-[benzyl(dimethylamino)amino]butan-1-amine (PubChem CID 143169694) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[benzyl(dimethylamino)amino]butan-1-amine.

Molecular Properties

Compound Name4-[benzyl(dimethylamino)amino]butan-1-amine
PubChem CID143169694
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[benzyl(dimethylamino)amino]butan-1-amine
SMILESCN(C)N(CCCCN)Cc1ccccc1
InChIInChI=1S/C13H23N3/c1-15(2)16(11-7-6-10-14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,14H2,1-2H3
InChIKeyMDUPZXQEYQUPQL-UHFFFAOYSA-N
XLogP1.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(dimethylamino)amino]butan-1-amine?
The IUPAC name of 4-[benzyl(dimethylamino)amino]butan-1-amine (CID 143169694) is 4-[benzyl(dimethylamino)amino]butan-1-amine.
What is the SMILES notation for 4-[benzyl(dimethylamino)amino]butan-1-amine?
The canonical SMILES for 4-[benzyl(dimethylamino)amino]butan-1-amine is CN(C)N(CCCCN)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(dimethylamino)amino]butan-1-amine?
The InChIKey is MDUPZXQEYQUPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15(2)16(11-7-6-10-14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,14H2,1-2H3.
What are the key properties of 4-[benzyl(dimethylamino)amino]butan-1-amine?
4-[benzyl(dimethylamino)amino]butan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(dimethylamino)amino]butan-1-amine is sourced from PubChem (CID 143169694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).