ethane;13-methyl-N-propyltetradecan-1-amine

C20H45N — CID 176934957

IUPACethane;13-methyl-N-propyltetradecan-1-amine
SMILESCC.CCCNCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H39N.C2H6/c1-4-16-19-17-14-12-10-8-6-5-7-9-11-13-15-18(2)3;1-2/h18-19H,4-17H2,1-3H3;1-2H3
InChIKeyHECPBMFQZOFGLD-UHFFFAOYSA-N
MW299.59 g/mol
LogP6.96
Rot. Bonds15

About ethane;13-methyl-N-propyltetradecan-1-amine

ethane;13-methyl-N-propyltetradecan-1-amine (PubChem CID 176934957) has the molecular formula C20H45N and a molecular weight of 299.59 g/mol. Its IUPAC name is ethane;13-methyl-N-propyltetradecan-1-amine.

Molecular Properties

Compound Nameethane;13-methyl-N-propyltetradecan-1-amine
PubChem CID176934957
Molecular FormulaC20H45N
Molecular Weight299.59 g/mol
Exact Mass299.36
IUPAC Nameethane;13-methyl-N-propyltetradecan-1-amine
SMILESCC.CCCNCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H39N.C2H6/c1-4-16-19-17-14-12-10-8-6-5-7-9-11-13-15-18(2)3;1-2/h18-19H,4-17H2,1-3H3;1-2H3
InChIKeyHECPBMFQZOFGLD-UHFFFAOYSA-N
XLogP6.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.59
LogP ≤ 56.96
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

ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
7-methyl-N-propyltridecan-1-amine
CID 123278261
1-N-propylnonane-1,8-diamine
CID 87246434
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-(3-methylbutyl)heptan-1-amine
CID 22348867

Frequently Asked Questions

What is the IUPAC name of ethane;13-methyl-N-propyltetradecan-1-amine?
The IUPAC name of ethane;13-methyl-N-propyltetradecan-1-amine (CID 176934957) is ethane;13-methyl-N-propyltetradecan-1-amine.
What is the SMILES notation for ethane;13-methyl-N-propyltetradecan-1-amine?
The canonical SMILES for ethane;13-methyl-N-propyltetradecan-1-amine is CC.CCCNCCCCCCCCCCCCC(C)C.
What is the InChIKey of ethane;13-methyl-N-propyltetradecan-1-amine?
The InChIKey is HECPBMFQZOFGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C2H6/c1-4-16-19-17-14-12-10-8-6-5-7-9-11-13-15-18(2)3;1-2/h18-19H,4-17H2,1-3H3;1-2H3.
What are the key properties of ethane;13-methyl-N-propyltetradecan-1-amine?
ethane;13-methyl-N-propyltetradecan-1-amine has a molecular weight of 299.59 g/mol, XLogP of 6.96, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;13-methyl-N-propyltetradecan-1-amine is sourced from PubChem (CID 176934957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).