N-ethyl-11-methyltridecan-1-amine

C16H35N — CID 167239915

IUPACN-ethyl-11-methyltridecan-1-amine
SMILESCCNCCCCCCCCCCC(C)CC
InChIInChI=1S/C16H35N/c1-4-16(3)14-12-10-8-6-7-9-11-13-15-17-5-2/h16-17H,4-15H2,1-3H3
InChIKeyDVFVVSCDQCZPGS-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds13

About N-ethyl-11-methyltridecan-1-amine

N-ethyl-11-methyltridecan-1-amine (PubChem CID 167239915) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-11-methyltridecan-1-amine.

Molecular Properties

Compound NameN-ethyl-11-methyltridecan-1-amine
PubChem CID167239915
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-11-methyltridecan-1-amine
SMILESCCNCCCCCCCCCCC(C)CC
InChIInChI=1S/C16H35N/c1-4-16(3)14-12-10-8-6-7-9-11-13-15-17-5-2/h16-17H,4-15H2,1-3H3
InChIKeyDVFVVSCDQCZPGS-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.15
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-ethyl-9-methylundecan-1-amine
CID 148817249
7-methyl-N-(2-methylprop-2-enyl)nonan-1-amine
CID 175620901
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
CID 166714486
N-butyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 138527062
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-11-methyltridecan-1-amine?
The IUPAC name of N-ethyl-11-methyltridecan-1-amine (CID 167239915) is N-ethyl-11-methyltridecan-1-amine.
What is the SMILES notation for N-ethyl-11-methyltridecan-1-amine?
The canonical SMILES for N-ethyl-11-methyltridecan-1-amine is CCNCCCCCCCCCCC(C)CC.
What is the InChIKey of N-ethyl-11-methyltridecan-1-amine?
The InChIKey is DVFVVSCDQCZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-4-16(3)14-12-10-8-6-7-9-11-13-15-17-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of N-ethyl-11-methyltridecan-1-amine?
N-ethyl-11-methyltridecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-11-methyltridecan-1-amine is sourced from PubChem (CID 167239915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).