N-butan-2-yldodecan-1-amine

C16H35N — CID 63489622

IUPACN-butan-2-yldodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)CC
InChIInChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h16-17H,4-15H2,1-3H3
InChIKeyKNTUQORJAXQUPJ-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.30
Rot. Bonds13

About N-butan-2-yldodecan-1-amine

N-butan-2-yldodecan-1-amine (PubChem CID 63489622) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-butan-2-yldodecan-1-amine.

Molecular Properties

Compound NameN-butan-2-yldodecan-1-amine
PubChem CID63489622
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-butan-2-yldodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)CC
InChIInChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h16-17H,4-15H2,1-3H3
InChIKeyKNTUQORJAXQUPJ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butan-2-yldodecan-1-amine 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

N-butan-2-ylundecan-1-amine
CID 151961423
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-pentan-2-ylheptan-1-amine
CID 43129169
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
N-propan-2-ylicosan-1-amine
CID 87246132
2-(tetradecylamino)propane-1,1-diol
CID 174762987

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yldodecan-1-amine?
The IUPAC name of N-butan-2-yldodecan-1-amine (CID 63489622) is N-butan-2-yldodecan-1-amine.
What is the SMILES notation for N-butan-2-yldodecan-1-amine?
The canonical SMILES for N-butan-2-yldodecan-1-amine is CCCCCCCCCCCCNC(C)CC.
What is the InChIKey of N-butan-2-yldodecan-1-amine?
The InChIKey is KNTUQORJAXQUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of N-butan-2-yldodecan-1-amine?
N-butan-2-yldodecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.30, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yldodecan-1-amine is sourced from PubChem (CID 63489622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).