4,4-dimethyl-N-propyldodecan-2-amine

C17H37N — CID 64716818

IUPAC4,4-dimethyl-N-propyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)NCCC
InChIInChI=1S/C17H37N/c1-6-8-9-10-11-12-13-17(4,5)15-16(3)18-14-7-2/h16,18H,6-15H2,1-5H3
InChIKeyARWFZUTWNWPHAN-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds12

About 4,4-dimethyl-N-propyldodecan-2-amine

4,4-dimethyl-N-propyldodecan-2-amine (PubChem CID 64716818) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyldodecan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyldodecan-2-amine
PubChem CID64716818
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name4,4-dimethyl-N-propyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)NCCC
InChIInChI=1S/C17H37N/c1-6-8-9-10-11-12-13-17(4,5)15-16(3)18-14-7-2/h16,18H,6-15H2,1-5H3
InChIKeyARWFZUTWNWPHAN-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
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

N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
CID 106732369
4,4-dimethyldecan-2-ol
CID 19931322
4,4-dimethyldodecan-2-amine
CID 64715723
N-propylnonan-2-amine
CID 43129664
4,6,6-trimethyldodecane
CID 123621829
16,16,21,21-tetramethylhexatriacontane
CID 174880889
pentane;7,7,9-trimethylpentadecane
CID 161309819
6,6,8-trimethyltridecane
CID 123736183
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyldodecan-2-amine?
The IUPAC name of 4,4-dimethyl-N-propyldodecan-2-amine (CID 64716818) is 4,4-dimethyl-N-propyldodecan-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyldodecan-2-amine?
The canonical SMILES for 4,4-dimethyl-N-propyldodecan-2-amine is CCCCCCCCC(C)(C)CC(C)NCCC.
What is the InChIKey of 4,4-dimethyl-N-propyldodecan-2-amine?
The InChIKey is ARWFZUTWNWPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-8-9-10-11-12-13-17(4,5)15-16(3)18-14-7-2/h16,18H,6-15H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-propyldodecan-2-amine?
4,4-dimethyl-N-propyldodecan-2-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyldodecan-2-amine is sourced from PubChem (CID 64716818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).