ethane;6-methyl-N-propylheptan-1-amine

C13H31N — CID 144802351

IUPACethane;6-methyl-N-propylheptan-1-amine
SMILESCC.CCCNCCCCCC(C)C
InChIInChI=1S/C11H25N.C2H6/c1-4-9-12-10-7-5-6-8-11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyZSEQZKSPWZQYFP-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.23
Rot. Bonds8

About ethane;6-methyl-N-propylheptan-1-amine

ethane;6-methyl-N-propylheptan-1-amine (PubChem CID 144802351) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;6-methyl-N-propylheptan-1-amine.

Molecular Properties

Compound Nameethane;6-methyl-N-propylheptan-1-amine
PubChem CID144802351
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;6-methyl-N-propylheptan-1-amine
SMILESCC.CCCNCCCCCC(C)C
InChIInChI=1S/C11H25N.C2H6/c1-4-9-12-10-7-5-6-8-11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyZSEQZKSPWZQYFP-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;6-methyl-N-propylheptan-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

ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
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;6-methyl-N-propylheptan-1-amine?
The IUPAC name of ethane;6-methyl-N-propylheptan-1-amine (CID 144802351) is ethane;6-methyl-N-propylheptan-1-amine.
What is the SMILES notation for ethane;6-methyl-N-propylheptan-1-amine?
The canonical SMILES for ethane;6-methyl-N-propylheptan-1-amine is CC.CCCNCCCCCC(C)C.
What is the InChIKey of ethane;6-methyl-N-propylheptan-1-amine?
The InChIKey is ZSEQZKSPWZQYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2H6/c1-4-9-12-10-7-5-6-8-11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;6-methyl-N-propylheptan-1-amine?
ethane;6-methyl-N-propylheptan-1-amine has a molecular weight of 201.40 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-N-propylheptan-1-amine is sourced from PubChem (CID 144802351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).