N-(2,3-dimethylbutyl)octan-1-amine

C14H31N — CID 64568463

IUPACN-(2,3-dimethylbutyl)octan-1-amine
SMILESCCCCCCCCNCC(C)C(C)C
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-15-12-14(4)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyVDVKVFFXQZFANF-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds10

About N-(2,3-dimethylbutyl)octan-1-amine

N-(2,3-dimethylbutyl)octan-1-amine (PubChem CID 64568463) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)octan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)octan-1-amine
PubChem CID64568463
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-(2,3-dimethylbutyl)octan-1-amine
SMILESCCCCCCCCNCC(C)C(C)C
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-15-12-14(4)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyVDVKVFFXQZFANF-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
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

2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
6-(2,3-dimethylbutylamino)hexan-1-ol
CID 107703430
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
1-(pentylamino)propan-2-ol
CID 3016247
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)octan-1-amine?
The IUPAC name of N-(2,3-dimethylbutyl)octan-1-amine (CID 64568463) is N-(2,3-dimethylbutyl)octan-1-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)octan-1-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)octan-1-amine is CCCCCCCCNCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)octan-1-amine?
The InChIKey is VDVKVFFXQZFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-6-7-8-9-10-11-15-12-14(4)13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutyl)octan-1-amine?
N-(2,3-dimethylbutyl)octan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)octan-1-amine is sourced from PubChem (CID 64568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).