(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine

C10H17NO — CID 127260918

IUPAC(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
SMILESCCOC1=C/C(=C/CN)CCC1
InChIInChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3/b9-6+
InChIKeyMKAWXKDROREAPW-RMKNXTFCSA-N
MW167.25 g/mol
LogP1.98
Rot. Bonds3

About (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine

(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine (PubChem CID 127260918) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
PubChem CID127260918
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
SMILESCCOC1=C/C(=C/CN)CCC1
InChIInChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3/b9-6+
InChIKeyMKAWXKDROREAPW-RMKNXTFCSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373944
2-(Aminomethyl)-5-(2,2-difluoropropoxy)deca-2,4-diene-1,10-diamine
CID 173659482
N-(3-methoxy-2-cyclohexenylidene)ethylamine
CID 129784528
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine
CID 89385260
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
1-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90833504
1-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90994155
2-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 91253538
2-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 91354723
[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
CID 134408168
3-(Cyclohexen-1-yloxy)propan-1-amine
CID 140189669
4-(Cyclohexen-1-yloxy)butan-1-amine
CID 140189740

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The IUPAC name of (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine (CID 127260918) is (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine.
What is the SMILES notation for (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The canonical SMILES for (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine is CCOC1=C/C(=C/CN)CCC1.
What is the InChIKey of (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The InChIKey is MKAWXKDROREAPW-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3/b9-6+.
What are the key properties of (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine is sourced from PubChem (CID 127260918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).