2,2,3-trimethyl-N-propyldodecan-5-amine

C18H39N — CID 115832322

IUPAC2,2,3-trimethyl-N-propyldodecan-5-amine
SMILESCCCCCCCC(CC(C)C(C)(C)C)NCCC
InChIInChI=1S/C18H39N/c1-7-9-10-11-12-13-17(19-14-8-2)15-16(3)18(4,5)6/h16-17,19H,7-15H2,1-6H3
InChIKeySXJGFJZTWXJUEC-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.79
Rot. Bonds11

About 2,2,3-trimethyl-N-propyldodecan-5-amine

2,2,3-trimethyl-N-propyldodecan-5-amine (PubChem CID 115832322) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-propyldodecan-5-amine.

Molecular Properties

Compound Name2,2,3-trimethyl-N-propyldodecan-5-amine
PubChem CID115832322
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2,2,3-trimethyl-N-propyldodecan-5-amine
SMILESCCCCCCCC(CC(C)C(C)(C)C)NCCC
InChIInChI=1S/C18H39N/c1-7-9-10-11-12-13-17(19-14-8-2)15-16(3)18(4,5)6/h16-17,19H,7-15H2,1-6H3
InChIKeySXJGFJZTWXJUEC-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.79
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

2,2,3-trimethylundecane
CID 21285055
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
N-ethyl-2-methyldodecan-4-amine
CID 63412709
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
3-(propylamino)dodecan-1-ol
CID 114078400
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113
N-propylnonan-2-amine
CID 43129664
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
N-propyldodec-1-yn-4-amine
CID 114977040
1-methoxy-N-propyldodecan-4-amine
CID 65091880
2,2-dimethyl-N-propylundec-3-yn-6-amine
CID 114190619

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-propyldodecan-5-amine?
The IUPAC name of 2,2,3-trimethyl-N-propyldodecan-5-amine (CID 115832322) is 2,2,3-trimethyl-N-propyldodecan-5-amine.
What is the SMILES notation for 2,2,3-trimethyl-N-propyldodecan-5-amine?
The canonical SMILES for 2,2,3-trimethyl-N-propyldodecan-5-amine is CCCCCCCC(CC(C)C(C)(C)C)NCCC.
What is the InChIKey of 2,2,3-trimethyl-N-propyldodecan-5-amine?
The InChIKey is SXJGFJZTWXJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-7-9-10-11-12-13-17(19-14-8-2)15-16(3)18(4,5)6/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 2,2,3-trimethyl-N-propyldodecan-5-amine?
2,2,3-trimethyl-N-propyldodecan-5-amine has a molecular weight of 269.52 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-propyldodecan-5-amine is sourced from PubChem (CID 115832322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).