2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine

C13H25N — CID 104926955

IUPAC2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
SMILESCC(C)=CCNC1CCCCCC1C
InChIInChI=1S/C13H25N/c1-11(2)9-10-14-13-8-6-4-5-7-12(13)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyOWTVDAJTIWXAQM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine

2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine (PubChem CID 104926955) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
PubChem CID104926955
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
SMILESCC(C)=CCNC1CCCCCC1C
InChIInChI=1S/C13H25N/c1-11(2)9-10-14-13-8-6-4-5-7-12(13)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyOWTVDAJTIWXAQM-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n-(2-Cycloheptylethyl)prop-2-en-1-amine
CID 227423
2-ethyl-N-(3-methylbut-2-enyl)hexan-1-amine
CID 103604722
(2R)-6-methyl-N-prop-2-enylheptan-2-amine
CID 121451033
3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine
CID 123270832
N-but-2-enyl-6-methyldecan-4-amine
CID 123677565
7,10-dimethyl-N-prop-2-enylundecan-4-amine
CID 126517352
2-methyl-N-prop-1-en-2-ylcycloheptan-1-amine
CID 126608177
2-methyl-N-[1-(3-methylcyclobutyl)propan-2-yl]prop-2-en-1-amine
CID 137403335
5-methyl-2-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 139565646
(1S)-1-cyclohepta-3,4-dien-1-yl-N-ethyl-11-methylidene-9-propylhexadecan-1-amine
CID 141844732
4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine
CID 143682286
2,6-dimethyl-5-methylidene-N-propan-2-yloctan-4-amine
CID 155197129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine (CID 104926955) is 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine is CC(C)=CCNC1CCCCCC1C.
What is the InChIKey of 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine?
The InChIKey is OWTVDAJTIWXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)9-10-14-13-8-6-4-5-7-12(13)3/h9,12-14H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine?
2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine is sourced from PubChem (CID 104926955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).