N,3,3-trimethylhexadecan-4-amine

C19H41N — CID 115846506

IUPACN,3,3-trimethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(NC)C(C)(C)CC
InChIInChI=1S/C19H41N/c1-6-8-9-10-11-12-13-14-15-16-17-18(20-5)19(3,4)7-2/h18,20H,6-17H2,1-5H3
InChIKeyOWQLOEQBWLJDMQ-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.32
Rot. Bonds14

About N,3,3-trimethylhexadecan-4-amine

N,3,3-trimethylhexadecan-4-amine (PubChem CID 115846506) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N,3,3-trimethylhexadecan-4-amine.

Molecular Properties

Compound NameN,3,3-trimethylhexadecan-4-amine
PubChem CID115846506
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN,3,3-trimethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(NC)C(C)(C)CC
InChIInChI=1S/C19H41N/c1-6-8-9-10-11-12-13-14-15-16-17-18(20-5)19(3,4)7-2/h18,20H,6-17H2,1-5H3
InChIKeyOWQLOEQBWLJDMQ-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.32
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

(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
3,3-dimethylhexadecan-4-ylhydrazine
CID 105298722
3,3-dimethylundecan-4-ylhydrazine
CID 105293669
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
3,3,4,5-tetramethyldodecane
CID 175562493
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylhexadecan-4-amine?
The IUPAC name of N,3,3-trimethylhexadecan-4-amine (CID 115846506) is N,3,3-trimethylhexadecan-4-amine.
What is the SMILES notation for N,3,3-trimethylhexadecan-4-amine?
The canonical SMILES for N,3,3-trimethylhexadecan-4-amine is CCCCCCCCCCCCC(NC)C(C)(C)CC.
What is the InChIKey of N,3,3-trimethylhexadecan-4-amine?
The InChIKey is OWQLOEQBWLJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-6-8-9-10-11-12-13-14-15-16-17-18(20-5)19(3,4)7-2/h18,20H,6-17H2,1-5H3.
What are the key properties of N,3,3-trimethylhexadecan-4-amine?
N,3,3-trimethylhexadecan-4-amine has a molecular weight of 283.54 g/mol, XLogP of 6.32, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylhexadecan-4-amine is sourced from PubChem (CID 115846506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).