4-methyl-N-propyldodecan-2-amine

C16H35N — CID 64721884

IUPAC4-methyl-N-propyldodecan-2-amine
SMILESCCCCCCCCC(C)CC(C)NCCC
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-15(3)14-16(4)17-13-6-2/h15-17H,5-14H2,1-4H3
InChIKeyHBMFTBDHRICPIG-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About 4-methyl-N-propyldodecan-2-amine

4-methyl-N-propyldodecan-2-amine (PubChem CID 64721884) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 4-methyl-N-propyldodecan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyldodecan-2-amine
PubChem CID64721884
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name4-methyl-N-propyldodecan-2-amine
SMILESCCCCCCCCC(C)CC(C)NCCC
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-15(3)14-16(4)17-13-6-2/h15-17H,5-14H2,1-4H3
InChIKeyHBMFTBDHRICPIG-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.15
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-propylnonan-2-amine
CID 43129664
N,4-dimethyldecan-2-amine
CID 64721855
6,8-dimethylhexadecane
CID 91185725
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyldodecan-2-amine?
The IUPAC name of 4-methyl-N-propyldodecan-2-amine (CID 64721884) is 4-methyl-N-propyldodecan-2-amine.
What is the SMILES notation for 4-methyl-N-propyldodecan-2-amine?
The canonical SMILES for 4-methyl-N-propyldodecan-2-amine is CCCCCCCCC(C)CC(C)NCCC.
What is the InChIKey of 4-methyl-N-propyldodecan-2-amine?
The InChIKey is HBMFTBDHRICPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-7-8-9-10-11-12-15(3)14-16(4)17-13-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of 4-methyl-N-propyldodecan-2-amine?
4-methyl-N-propyldodecan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyldodecan-2-amine is sourced from PubChem (CID 64721884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).