N-ethyl-9-methylundecan-1-amine

C14H31N — CID 148817249

IUPACN-ethyl-9-methylundecan-1-amine
SMILESCCNCCCCCCCCC(C)CC
InChIInChI=1S/C14H31N/c1-4-14(3)12-10-8-6-7-9-11-13-15-5-2/h14-15H,4-13H2,1-3H3
InChIKeyORBPPGVEMKCLBH-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds11

About N-ethyl-9-methylundecan-1-amine

N-ethyl-9-methylundecan-1-amine (PubChem CID 148817249) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-9-methylundecan-1-amine.

Molecular Properties

Compound NameN-ethyl-9-methylundecan-1-amine
PubChem CID148817249
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-9-methylundecan-1-amine
SMILESCCNCCCCCCCCC(C)CC
InChIInChI=1S/C14H31N/c1-4-14(3)12-10-8-6-7-9-11-13-15-5-2/h14-15H,4-13H2,1-3H3
InChIKeyORBPPGVEMKCLBH-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-9-methylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-11-methyltridecan-1-amine
CID 167239915
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-9-methylundecan-1-amine?
The IUPAC name of N-ethyl-9-methylundecan-1-amine (CID 148817249) is N-ethyl-9-methylundecan-1-amine.
What is the SMILES notation for N-ethyl-9-methylundecan-1-amine?
The canonical SMILES for N-ethyl-9-methylundecan-1-amine is CCNCCCCCCCCC(C)CC.
What is the InChIKey of N-ethyl-9-methylundecan-1-amine?
The InChIKey is ORBPPGVEMKCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-4-14(3)12-10-8-6-7-9-11-13-15-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of N-ethyl-9-methylundecan-1-amine?
N-ethyl-9-methylundecan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-methylundecan-1-amine is sourced from PubChem (CID 148817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).