3-ethoxy-2-methylnon-7-yn-4-amine

C12H23NO — CID 116720742

IUPAC3-ethoxy-2-methylnon-7-yn-4-amine
SMILESCC#CCCC(N)C(OCC)C(C)C
InChIInChI=1S/C12H23NO/c1-5-7-8-9-11(13)12(10(3)4)14-6-2/h10-12H,6,8-9,13H2,1-4H3
InChIKeyMPBLTBGVVQSSCI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds6

About 3-ethoxy-2-methylnon-7-yn-4-amine

3-ethoxy-2-methylnon-7-yn-4-amine (PubChem CID 116720742) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethoxy-2-methylnon-7-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-2-methylnon-7-yn-4-amine
PubChem CID116720742
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethoxy-2-methylnon-7-yn-4-amine
SMILESCC#CCCC(N)C(OCC)C(C)C
InChIInChI=1S/C12H23NO/c1-5-7-8-9-11(13)12(10(3)4)14-6-2/h10-12H,6,8-9,13H2,1-4H3
InChIKeyMPBLTBGVVQSSCI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyhept-5-yn-2-ol
CID 104804060
5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine
CID 116720841
6,7-dimethylnon-2-yne
CID 123813434
2-methyldec-8-yn-3-amine
CID 104811927
(4R)-3-methoxy-2-methylheptan-4-amine
CID 104932507
7-ethylundec-2-yn-6-amine
CID 105037082
1-(1-ethoxycyclohexyl)hex-4-yn-1-amine
CID 116763508
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
1-cyclopropyl-1-methoxyhept-5-yn-2-amine
CID 116721827
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
2-ethoxyhept-5-yn-3-ylhydrazine
CID 105222785
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methylnon-7-yn-4-amine?
The IUPAC name of 3-ethoxy-2-methylnon-7-yn-4-amine (CID 116720742) is 3-ethoxy-2-methylnon-7-yn-4-amine.
What is the SMILES notation for 3-ethoxy-2-methylnon-7-yn-4-amine?
The canonical SMILES for 3-ethoxy-2-methylnon-7-yn-4-amine is CC#CCCC(N)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-2-methylnon-7-yn-4-amine?
The InChIKey is MPBLTBGVVQSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-8-9-11(13)12(10(3)4)14-6-2/h10-12H,6,8-9,13H2,1-4H3.
What are the key properties of 3-ethoxy-2-methylnon-7-yn-4-amine?
3-ethoxy-2-methylnon-7-yn-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylnon-7-yn-4-amine is sourced from PubChem (CID 116720742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).