2-(3-methylbut-3-enoxy)cycloheptan-1-amine

C12H23NO — CID 114473078

IUPAC2-(3-methylbut-3-enoxy)cycloheptan-1-amine
SMILESC=C(C)CCOC1CCCCCC1N
InChIInChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-3-4-6-11(12)13/h11-12H,1,3-9,13H2,2H3
InChIKeyFSVUWLSBAYWJIF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds4

About 2-(3-methylbut-3-enoxy)cycloheptan-1-amine

2-(3-methylbut-3-enoxy)cycloheptan-1-amine (PubChem CID 114473078) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)cycloheptan-1-amine
PubChem CID114473078
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(3-methylbut-3-enoxy)cycloheptan-1-amine
SMILESC=C(C)CCOC1CCCCCC1N
InChIInChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-3-4-6-11(12)13/h11-12H,1,3-9,13H2,2H3
InChIKeyFSVUWLSBAYWJIF-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid
CID 157029555
2-butoxycyclohexan-1-amine
CID 43267617
2-(2-propoxyethoxy)cycloheptan-1-amine
CID 63685616
2-hexoxycyclododecan-1-amine
CID 43127854
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
2-octoxycyclohexan-1-amine
CID 43127889
(4Z,6Z)-6-[2-(2-aminocyclohexyl)oxyethyl]octa-4,6-dien-2-yn-4-ol;ethane;methane
CID 143380203
1-[(1R,2S)-2-aminocyclopentyl]oxypropan-2-one
CID 59454034
2-ethoxycyclopentan-1-amine
CID 16792821

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxy)cycloheptan-1-amine?
The IUPAC name of 2-(3-methylbut-3-enoxy)cycloheptan-1-amine (CID 114473078) is 2-(3-methylbut-3-enoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(3-methylbut-3-enoxy)cycloheptan-1-amine is C=C(C)CCOC1CCCCCC1N.
What is the InChIKey of 2-(3-methylbut-3-enoxy)cycloheptan-1-amine?
The InChIKey is FSVUWLSBAYWJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-3-4-6-11(12)13/h11-12H,1,3-9,13H2,2H3.
What are the key properties of 2-(3-methylbut-3-enoxy)cycloheptan-1-amine?
2-(3-methylbut-3-enoxy)cycloheptan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)cycloheptan-1-amine is sourced from PubChem (CID 114473078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).