5-ethyl-N-methylnon-1-yn-4-amine

C12H23N — CID 114977340

IUPAC5-ethyl-N-methylnon-1-yn-4-amine
SMILESC#CCC(NC)C(CC)CCCC
InChIInChI=1S/C12H23N/c1-5-8-10-11(7-3)12(13-4)9-6-2/h2,11-13H,5,7-10H2,1,3-4H3
InChIKeyMOPMWNGQHAWXPY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds7

About 5-ethyl-N-methylnon-1-yn-4-amine

5-ethyl-N-methylnon-1-yn-4-amine (PubChem CID 114977340) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-ethyl-N-methylnon-1-yn-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methylnon-1-yn-4-amine
PubChem CID114977340
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-ethyl-N-methylnon-1-yn-4-amine
SMILESC#CCC(NC)C(CC)CCCC
InChIInChI=1S/C12H23N/c1-5-8-10-11(7-3)12(13-4)9-6-2/h2,11-13H,5,7-10H2,1,3-4H3
InChIKeyMOPMWNGQHAWXPY-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-N,2-dimethylundecan-6-amine
CID 105028702
3-ethyl-N-methylnonan-4-amine
CID 115837459
5-methoxy-N-methylhept-1-yn-4-amine
CID 116715372
N-hex-5-yn-3-ylheptan-3-amine
CID 115723674
N,5-diethylnonan-4-amine
CID 83051951
N,4-diethyloct-1-yn-3-amine
CID 104995536
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
4,5-diethylnonane
CID 21188862
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methylnon-1-yn-4-amine?
The IUPAC name of 5-ethyl-N-methylnon-1-yn-4-amine (CID 114977340) is 5-ethyl-N-methylnon-1-yn-4-amine.
What is the SMILES notation for 5-ethyl-N-methylnon-1-yn-4-amine?
The canonical SMILES for 5-ethyl-N-methylnon-1-yn-4-amine is C#CCC(NC)C(CC)CCCC.
What is the InChIKey of 5-ethyl-N-methylnon-1-yn-4-amine?
The InChIKey is MOPMWNGQHAWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-8-10-11(7-3)12(13-4)9-6-2/h2,11-13H,5,7-10H2,1,3-4H3.
What are the key properties of 5-ethyl-N-methylnon-1-yn-4-amine?
5-ethyl-N-methylnon-1-yn-4-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methylnon-1-yn-4-amine is sourced from PubChem (CID 114977340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).