N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine

C11H20ClN — CID 106437444

IUPACN-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
SMILESCC(=CCl)CNC1CCCCCC1
InChIInChI=1S/C11H20ClN/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3
InChIKeyTUXHFFFBBBOWEZ-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.44
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine

N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine (PubChem CID 106437444) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
PubChem CID106437444
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
SMILESCC(=CCl)CNC1CCCCCC1
InChIInChI=1S/C11H20ClN/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3
InChIKeyTUXHFFFBBBOWEZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
N-(2,3-dichloroprop-2-enyl)cyclopentanamine
CID 79167999
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
CID 106437575
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
CID 106438266
N-(3-chloro-2-methylprop-2-enyl)-2-methyloxan-4-amine
CID 106438247
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
CID 24974469
[2-[(3-chloro-2-methylprop-2-enyl)amino]cyclopentyl]methanol
CID 106438361
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
1-(cyclobutylamino)propan-2-one
CID 21335373

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine (CID 106437444) is N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine is CC(=CCl)CNC1CCCCCC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine?
The InChIKey is TUXHFFFBBBOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine?
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine has a molecular weight of 201.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine is sourced from PubChem (CID 106437444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).