7-methyl-N-propyltridecan-1-amine

C17H37N — CID 123278261

IUPAC7-methyl-N-propyltridecan-1-amine
SMILESCCCCCCC(C)CCCCCCNCCC
InChIInChI=1S/C17H37N/c1-4-6-7-10-13-17(3)14-11-8-9-12-16-18-15-5-2/h17-18H,4-16H2,1-3H3
InChIKeyQIAKSCCFJUEZBJ-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds14

About 7-methyl-N-propyltridecan-1-amine

7-methyl-N-propyltridecan-1-amine (PubChem CID 123278261) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 7-methyl-N-propyltridecan-1-amine.

Molecular Properties

Compound Name7-methyl-N-propyltridecan-1-amine
PubChem CID123278261
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name7-methyl-N-propyltridecan-1-amine
SMILESCCCCCCC(C)CCCCCCNCCC
InChIInChI=1S/C17H37N/c1-4-6-7-10-13-17(3)14-11-8-9-12-16-18-15-5-2/h17-18H,4-16H2,1-3H3
InChIKeyQIAKSCCFJUEZBJ-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
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

5-methyl-N-propylnonan-1-amine
CID 123719528
N-propylhexadecan-1-amine
CID 18792182
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
3,5-dimethyl-N-octadecyloctadecan-1-amine;hydrochloride
CID 173330478
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
11-methylhentriacontane
CID 520767
(9R)-9-methylhenicosane
CID 170848396
6-methyltetradecane
CID 529900

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propyltridecan-1-amine?
The IUPAC name of 7-methyl-N-propyltridecan-1-amine (CID 123278261) is 7-methyl-N-propyltridecan-1-amine.
What is the SMILES notation for 7-methyl-N-propyltridecan-1-amine?
The canonical SMILES for 7-methyl-N-propyltridecan-1-amine is CCCCCCC(C)CCCCCCNCCC.
What is the InChIKey of 7-methyl-N-propyltridecan-1-amine?
The InChIKey is QIAKSCCFJUEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-4-6-7-10-13-17(3)14-11-8-9-12-16-18-15-5-2/h17-18H,4-16H2,1-3H3.
What are the key properties of 7-methyl-N-propyltridecan-1-amine?
7-methyl-N-propyltridecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propyltridecan-1-amine is sourced from PubChem (CID 123278261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).