N,3,3-trimethylpentadecan-1-amine

C18H39N — CID 81023479

IUPACN,3,3-trimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)(C)CCNC
InChIInChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17-19-4/h19H,5-17H2,1-4H3
InChIKeyFFNCDCIMAYXXCP-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.93
Rot. Bonds14

About N,3,3-trimethylpentadecan-1-amine

N,3,3-trimethylpentadecan-1-amine (PubChem CID 81023479) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,3,3-trimethylpentadecan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethylpentadecan-1-amine
PubChem CID81023479
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,3,3-trimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)(C)CCNC
InChIInChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17-19-4/h19H,5-17H2,1-4H3
InChIKeyFFNCDCIMAYXXCP-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.93
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,3,3-trimethyldecan-1-amine
CID 81022297
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N,6,6-trimethylnonan-1-amine
CID 118650446
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N,2,2-trimethyloctan-1-amine
CID 62723717
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
3,3-dimethylpentadecan-1-amine
CID 81014127
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
3-methyl-1-(methylamino)pentadecane-3-sulfonic acid
CID 141244071
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylpentadecan-1-amine?
The IUPAC name of N,3,3-trimethylpentadecan-1-amine (CID 81023479) is N,3,3-trimethylpentadecan-1-amine.
What is the SMILES notation for N,3,3-trimethylpentadecan-1-amine?
The canonical SMILES for N,3,3-trimethylpentadecan-1-amine is CCCCCCCCCCCCC(C)(C)CCNC.
What is the InChIKey of N,3,3-trimethylpentadecan-1-amine?
The InChIKey is FFNCDCIMAYXXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17-19-4/h19H,5-17H2,1-4H3.
What are the key properties of N,3,3-trimethylpentadecan-1-amine?
N,3,3-trimethylpentadecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylpentadecan-1-amine is sourced from PubChem (CID 81023479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).