4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine

C9H16ClNO — CID 62807756

IUPAC4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
SMILESNC1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C9H16ClNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1,6,8-9H,2-5,7,11H2/b6-1+
InChIKeyGCARDKXNSWNXNL-LZCJLJQNSA-N
MW189.69 g/mol
LogP2.03
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine

4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine (PubChem CID 62807756) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
PubChem CID62807756
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
SMILESNC1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C9H16ClNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1,6,8-9H,2-5,7,11H2/b6-1+
InChIKeyGCARDKXNSWNXNL-LZCJLJQNSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Prop-2-enoxycyclohexan-1-amine
CID 45090913
4-But-3-en-2-yloxycyclohexan-1-amine
CID 62806349
4-[(E)-but-2-enoxy]cyclohexan-1-amine
CID 62807933
4-(2-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 62807934
4-(3-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 76949652
4-But-2-enoxycyclohexan-1-amine
CID 76949655
4-(2,3-Dichloroprop-2-enoxy)cyclohexan-1-amine
CID 79173068
3-(3-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 79465396
2-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 104285378
4-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 104454472
4-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454568
4-[(E)-3-chloroprop-2-enoxy]-N-ethylcyclohexan-1-amine
CID 104454890

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine (CID 62807756) is 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine is NC1CCC(OC/C=C/Cl)CC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine?
The InChIKey is GCARDKXNSWNXNL-LZCJLJQNSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1,6,8-9H,2-5,7,11H2/b6-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine?
4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine has a molecular weight of 189.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine is sourced from PubChem (CID 62807756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).