N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine

C10H18ClNO — CID 106438266

IUPACN-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCC(C)=CCl)C1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-12-9-3-4-10(5-9)13-2/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyDFYCJWUOLVKCQI-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds4

About N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine

N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine (PubChem CID 106438266) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
PubChem CID106438266
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCC(C)=CCl)C1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-12-9-3-4-10(5-9)13-2/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyDFYCJWUOLVKCQI-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
CID 106437444
2-[(3-methoxycyclopentyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 114117988
N-(3-chloro-2-methylprop-2-enyl)-1-cyclopropylpyrrolidin-3-amine
CID 106437648
ethane;3-methoxy-N-methylcyclopentan-1-amine
CID 164585238
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
CID 104871443
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 103081583
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine (CID 106438266) is N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine is COC1CCC(NCC(C)=CCl)C1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine?
The InChIKey is DFYCJWUOLVKCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(6-11)7-12-9-3-4-10(5-9)13-2/h6,9-10,12H,3-5,7H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine?
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 106438266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).