(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

C10H18ClNO — CID 103914866

IUPAC(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(12-6-2-5-11)10-3-7-13-8-4-10/h2,5,9-10,12H,3-4,6-8H2,1H3/b5-2+
InChIKeySQHGGPKCCUEPLH-GORDUTHDSA-N
MW203.71 g/mol
LogP2.14
Rot. Bonds4

About (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 103914866) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID103914866
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(12-6-2-5-11)10-3-7-13-8-4-10/h2,5,9-10,12H,3-4,6-8H2,1H3/b5-2+
InChIKeySQHGGPKCCUEPLH-GORDUTHDSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
2-N-methyl-2-N-(oxan-4-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 63706007
2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 63713766
N-methyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589807
N-ethyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589809
1-(oxan-4-yl)-N-propylprop-2-en-1-amine
CID 65589811
2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 79167650
N-[(E)-4-chlorobut-2-enyl]oxan-3-amine
CID 81429418
(E)-4-chloro-N-(oxan-4-ylmethyl)but-2-en-1-amine
CID 81429812
N-[(E)-3-chloroprop-2-enyl]oxan-3-amine
CID 103832854
2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914764
N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine
CID 103914791

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (CID 103914866) is (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is CC(NC/C=C/Cl)C1CCOCC1.
What is the InChIKey of (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is SQHGGPKCCUEPLH-GORDUTHDSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(12-6-2-5-11)10-3-7-13-8-4-10/h2,5,9-10,12H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103914866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).