1-(3-methoxycyclohexyl)ethenamine

C9H17NO — CID 145478240

IUPAC1-(3-methoxycyclohexyl)ethenamine
SMILESC=C(N)C1CCCC(OC)C1
InChIInChI=1S/C9H17NO/c1-7(10)8-4-3-5-9(6-8)11-2/h8-9H,1,3-6,10H2,2H3
InChIKeyNHKJREQHSOAZAX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-methoxycyclohexyl)ethenamine

1-(3-methoxycyclohexyl)ethenamine (PubChem CID 145478240) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)ethenamine
PubChem CID145478240
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3-methoxycyclohexyl)ethenamine
SMILESC=C(N)C1CCCC(OC)C1
InChIInChI=1S/C9H17NO/c1-7(10)8-4-3-5-9(6-8)11-2/h8-9H,1,3-6,10H2,2H3
InChIKeyNHKJREQHSOAZAX-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199
1-(3-methoxycyclohexyl)prop-2-en-1-one
CID 89089169
2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074789
chloromethyl 3-methoxycyclohexane-1-carboxylate
CID 88996258
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074784
trans-(1S,3S)-3-methoxycyclohexane-1-thiol
CID 146570954
[(1S,3S)-3-carbamoylcyclohexyl] carbamate
CID 69109652
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)ethenamine?
The IUPAC name of 1-(3-methoxycyclohexyl)ethenamine (CID 145478240) is 1-(3-methoxycyclohexyl)ethenamine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)ethenamine?
The canonical SMILES for 1-(3-methoxycyclohexyl)ethenamine is C=C(N)C1CCCC(OC)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)ethenamine?
The InChIKey is NHKJREQHSOAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(10)8-4-3-5-9(6-8)11-2/h8-9H,1,3-6,10H2,2H3.
What are the key properties of 1-(3-methoxycyclohexyl)ethenamine?
1-(3-methoxycyclohexyl)ethenamine has a molecular weight of 155.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)ethenamine is sourced from PubChem (CID 145478240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).