(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine

C13H25NO — CID 163785087

IUPAC(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine
SMILESCC/C=C(\CNCC1CCCCC1)OC
InChIInChI=1S/C13H25NO/c1-3-7-13(15-2)11-14-10-12-8-5-4-6-9-12/h7,12,14H,3-6,8-11H2,1-2H3/b13-7+
InChIKeyMRVSBSNSLIVHNR-NTUHNPAUSA-N
MW211.35 g/mol
LogP3.10
Rot. Bonds6

About (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine

(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine (PubChem CID 163785087) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine
PubChem CID163785087
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine
SMILESCC/C=C(\CNCC1CCCCC1)OC
InChIInChI=1S/C13H25NO/c1-3-7-13(15-2)11-14-10-12-8-5-4-6-9-12/h7,12,14H,3-6,8-11H2,1-2H3/b13-7+
InChIKeyMRVSBSNSLIVHNR-NTUHNPAUSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
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(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
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CID 173435638
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610308
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610310
(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine
CID 79337584
3-cyclohexyl-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337981
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CID 79339671

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine?
The IUPAC name of (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine (CID 163785087) is (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine.
What is the SMILES notation for (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine?
The canonical SMILES for (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine is CC/C=C(\CNCC1CCCCC1)OC.
What is the InChIKey of (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine?
The InChIKey is MRVSBSNSLIVHNR-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-7-13(15-2)11-14-10-12-8-5-4-6-9-12/h7,12,14H,3-6,8-11H2,1-2H3/b13-7+.
What are the key properties of (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine?
(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine is sourced from PubChem (CID 163785087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).