N-ethyl-5-methylhexan-1-amine;molecular hydrogen

C9H23N — CID 177161269

IUPACN-ethyl-5-methylhexan-1-amine;molecular hydrogen
SMILESCCNCCCCC(C)C.[H][H]
InChIInChI=1S/C9H21N.H2/c1-4-10-8-6-5-7-9(2)3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyJBUPVGPDGVALEH-UHFFFAOYSA-N
MW145.29 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-5-methylhexan-1-amine;molecular hydrogen

N-ethyl-5-methylhexan-1-amine;molecular hydrogen (PubChem CID 177161269) has the molecular formula C9H23N and a molecular weight of 145.29 g/mol. Its IUPAC name is N-ethyl-5-methylhexan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-5-methylhexan-1-amine;molecular hydrogen
PubChem CID177161269
Molecular FormulaC9H23N
Molecular Weight145.29 g/mol
Exact Mass145.18
IUPAC NameN-ethyl-5-methylhexan-1-amine;molecular hydrogen
SMILESCCNCCCCC(C)C.[H][H]
InChIInChI=1S/C9H21N.H2/c1-4-10-8-6-5-7-9(2)3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyJBUPVGPDGVALEH-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.29
LogP ≤ 52.67
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-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
CID 166714486
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-ethyl-9-methylundecan-1-amine
CID 148817249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylhexan-1-amine;molecular hydrogen?
The IUPAC name of N-ethyl-5-methylhexan-1-amine;molecular hydrogen (CID 177161269) is N-ethyl-5-methylhexan-1-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-5-methylhexan-1-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-5-methylhexan-1-amine;molecular hydrogen is CCNCCCCC(C)C.[H][H].
What is the InChIKey of N-ethyl-5-methylhexan-1-amine;molecular hydrogen?
The InChIKey is JBUPVGPDGVALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.H2/c1-4-10-8-6-5-7-9(2)3;/h9-10H,4-8H2,1-3H3;1H.
What are the key properties of N-ethyl-5-methylhexan-1-amine;molecular hydrogen?
N-ethyl-5-methylhexan-1-amine;molecular hydrogen has a molecular weight of 145.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylhexan-1-amine;molecular hydrogen is sourced from PubChem (CID 177161269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).