2,3-dimethyl-N-pentylbutan-1-amine

C11H25N — CID 64570276

IUPAC2,3-dimethyl-N-pentylbutan-1-amine
SMILESCCCCCNCC(C)C(C)C
InChIInChI=1S/C11H25N/c1-5-6-7-8-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyBOEXYSUXORZGFL-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds7

About 2,3-dimethyl-N-pentylbutan-1-amine

2,3-dimethyl-N-pentylbutan-1-amine (PubChem CID 64570276) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-pentylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-pentylbutan-1-amine
PubChem CID64570276
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,3-dimethyl-N-pentylbutan-1-amine
SMILESCCCCCNCC(C)C(C)C
InChIInChI=1S/C11H25N/c1-5-6-7-8-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyBOEXYSUXORZGFL-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
6-(2,3-dimethylbutylamino)hexan-1-ol
CID 107703430
1-(pentylamino)propan-2-ol
CID 3016247
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(hexadecylamino)ethane-1,1-diol
CID 87604065

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-pentylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-N-pentylbutan-1-amine (CID 64570276) is 2,3-dimethyl-N-pentylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-pentylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-pentylbutan-1-amine is CCCCCNCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-pentylbutan-1-amine?
The InChIKey is BOEXYSUXORZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-6-7-8-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-pentylbutan-1-amine?
2,3-dimethyl-N-pentylbutan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-pentylbutan-1-amine is sourced from PubChem (CID 64570276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).