3,3-dimethyl-N-propyldodecan-1-amine

C17H37N — CID 81022998

IUPAC3,3-dimethyl-N-propyldodecan-1-amine
SMILESCCCCCCCCCC(C)(C)CCNCCC
InChIInChI=1S/C17H37N/c1-5-7-8-9-10-11-12-13-17(3,4)14-16-18-15-6-2/h18H,5-16H2,1-4H3
InChIKeyRGAKZAJEJQDZBM-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds13

About 3,3-dimethyl-N-propyldodecan-1-amine

3,3-dimethyl-N-propyldodecan-1-amine (PubChem CID 81022998) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyldodecan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyldodecan-1-amine
PubChem CID81022998
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name3,3-dimethyl-N-propyldodecan-1-amine
SMILESCCCCCCCCCC(C)(C)CCNCCC
InChIInChI=1S/C17H37N/c1-5-7-8-9-10-11-12-13-17(3,4)14-16-18-15-6-2/h18H,5-16H2,1-4H3
InChIKeyRGAKZAJEJQDZBM-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.54
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

2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
3,3-dimethyl-N-(2-methylpropyl)octan-1-amine
CID 81033930
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
3,3-dimethylpentadecan-1-amine
CID 81014127
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-propylhexadecan-1-amine
CID 18792182
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyldodecan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyldodecan-1-amine (CID 81022998) is 3,3-dimethyl-N-propyldodecan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyldodecan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyldodecan-1-amine is CCCCCCCCCC(C)(C)CCNCCC.
What is the InChIKey of 3,3-dimethyl-N-propyldodecan-1-amine?
The InChIKey is RGAKZAJEJQDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-7-8-9-10-11-12-13-17(3,4)14-16-18-15-6-2/h18H,5-16H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propyldodecan-1-amine?
3,3-dimethyl-N-propyldodecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyldodecan-1-amine is sourced from PubChem (CID 81022998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).