2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene

C15H31NO — CID 142986216

IUPAC2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
SMILESC/C=C/COC1CCCCC1N.C=CC.CC
InChIInChI=1S/C10H19NO.C3H6.C2H6/c1-2-3-8-12-10-7-5-4-6-9(10)11;1-3-2;1-2/h2-3,9-10H,4-8,11H2,1H3;3H,1H2,2H3;1-2H3/b3-2+;;
InChIKeyRCGJPAHLXHQDKD-WTVBWJGASA-N
MW241.42 g/mol
LogP4.07
Rot. Bonds3

About 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene

2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene (PubChem CID 142986216) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
PubChem CID142986216
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
SMILESC/C=C/COC1CCCCC1N.C=CC.CC
InChIInChI=1S/C10H19NO.C3H6.C2H6/c1-2-3-8-12-10-7-5-4-6-9(10)11;1-3-2;1-2/h2-3,9-10H,4-8,11H2,1H3;3H,1H2,2H3;1-2H3/b3-2+;;
InChIKeyRCGJPAHLXHQDKD-WTVBWJGASA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-2-enoxycyclohexan-1-amine
CID 45090913
2-Prop-2-enoxycyclohexane-1,4-diamine
CID 140425538
(2S,3R)-3-prop-2-enoxydodecan-2-amine
CID 11042890
2-[(E)-but-2-enoxy]pentan-1-amine
CID 14954768
4-(3-Methylbut-2-enoxy)cyclohexan-1-amine
CID 62807757
4-[(E)-but-2-enoxy]cyclohexan-1-amine
CID 62807933
4-But-2-enoxycyclohexan-1-amine
CID 76949655
3-But-2-enoxycyclohexan-1-amine
CID 79465276
N-methyl-2-(3-methylbut-2-enoxy)cyclohexan-1-amine
CID 102633068
N-methyl-2-prop-2-enoxycyclohexan-1-amine
CID 102633115
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
CID 102633452
2-[(E)-but-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633519

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene?
The IUPAC name of 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene (CID 142986216) is 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene.
What is the SMILES notation for 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene?
The canonical SMILES for 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene is C/C=C/COC1CCCCC1N.C=CC.CC.
What is the InChIKey of 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene?
The InChIKey is RCGJPAHLXHQDKD-WTVBWJGASA-N. The full InChI is InChI=1S/C10H19NO.C3H6.C2H6/c1-2-3-8-12-10-7-5-4-6-9(10)11;1-3-2;1-2/h2-3,9-10H,4-8,11H2,1H3;3H,1H2,2H3;1-2H3/b3-2+;;.
What are the key properties of 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene?
2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene has a molecular weight of 241.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene is sourced from PubChem (CID 142986216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).