N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine

C10H18ClNO — CID 104530566

IUPACN-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine
SMILESC=C(Cl)CNC1CCC(OC)CC1
InChIInChI=1S/C10H18ClNO/c1-8(11)7-12-9-3-5-10(13-2)6-4-9/h9-10,12H,1,3-7H2,2H3
InChIKeyCRSSZQAJTUCWIR-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine

N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine (PubChem CID 104530566) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine
PubChem CID104530566
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine
SMILESC=C(Cl)CNC1CCC(OC)CC1
InChIInChI=1S/C10H18ClNO/c1-8(11)7-12-9-3-5-10(13-2)6-4-9/h9-10,12H,1,3-7H2,2H3
InChIKeyCRSSZQAJTUCWIR-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

trans-(4-[4-(Allyl-methyl-amino)-butoxy]-cyclohexyl)-methyl-amine
CID 22567622
N-ethyl-4-methoxycyclohexan-1-amine;hydrochloride
CID 69830850
4-methoxy-N-prop-2-enylcyclohexan-1-amine
CID 104456854
4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103522714
4-(2-Chloroprop-2-enylamino)cyclohexan-1-ol
CID 103604861
N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
CID 103991296
4-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454357
4-(2-chloroprop-2-enoxy)-N-ethylcyclohexan-1-amine
CID 104454773
4-(2-chloroprop-2-enoxy)-N-propylcyclohexan-1-amine
CID 104455158
N-(2-bromoprop-2-enyl)-4-methoxycyclohexan-1-amine
CID 104530158
N-but-3-en-2-yl-4-methoxycyclohexan-1-amine
CID 104530376
4-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 114615823

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine (CID 104530566) is N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine is C=C(Cl)CNC1CCC(OC)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine?
The InChIKey is CRSSZQAJTUCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(11)7-12-9-3-5-10(13-2)6-4-9/h9-10,12H,1,3-7H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine?
N-(2-chloroprop-2-enyl)-4-methoxycyclohexan-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-(2-chloroprop-2-enyl)-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 104530566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).