1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine

C12H23NO — CID 116769785

IUPAC1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)C1(OC)CCCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)11(13)12(14-3)8-6-4-5-7-9-12/h11H,1,4-9,13H2,2-3H3
InChIKeyFTRDZUYOGCODEG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds3

About 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine

1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine (PubChem CID 116769785) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine
PubChem CID116769785
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)C1(OC)CCCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)11(13)12(14-3)8-6-4-5-7-9-12/h11H,1,4-9,13H2,2-3H3
InChIKeyFTRDZUYOGCODEG-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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

[1-(1-methoxycycloheptyl)-2-methylprop-2-enyl]hydrazine
CID 105278319
2-amino-2-(1-methoxycyclobutyl)acetic acid
CID 119032100
1-(1-methoxycyclohexyl)prop-2-en-1-amine
CID 116762563
1-(1-methoxycyclobutyl)-3-methylbut-3-en-1-amine
CID 116713908
1-(1-methoxycyclopentyl)prop-2-en-1-amine
CID 104610553
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
[1-(1-methoxycyclopentyl)-3-methylbut-3-enyl]hydrazine
CID 105268829
1-(1-methoxycyclohexyl)prop-2-yn-1-amine
CID 116762592
2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
CID 79180082
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine (CID 116769785) is 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine?
The InChIKey is FTRDZUYOGCODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)11(13)12(14-3)8-6-4-5-7-9-12/h11H,1,4-9,13H2,2-3H3.
What are the key properties of 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine?
1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 116769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).