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

C10H17Cl2NO — CID 103914764

IUPAC2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CCOCC1
InChIInChI=1S/C10H17Cl2NO/c1-8(13-7-10(12)6-11)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyISYFCPFGZKSERJ-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.71
Rot. Bonds4

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

2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 103914764) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID103914764
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CCOCC1
InChIInChI=1S/C10H17Cl2NO/c1-8(13-7-10(12)6-11)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyISYFCPFGZKSERJ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 63713766
2-chloro-N-(oxan-4-ylmethyl)propan-1-amine
CID 65023827
1-chloro-4-methyl-N-(oxan-4-ylmethyl)pentan-2-amine
CID 65025433
1-chloro-N-(oxan-4-ylmethyl)propan-2-amine
CID 65026072
1-chloro-N-(oxan-4-ylmethyl)butan-2-amine
CID 65026283
N-(2,3-dichloroprop-2-enyl)oxan-3-amine
CID 79167366
2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 79167650
1-chloro-3-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 79244826
(E)-4-chloro-N-(oxan-4-ylmethyl)but-2-en-1-amine
CID 81429812
1,3-dichloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 81965805
(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914866
2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914879

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (CID 103914764) is 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is CC(NCC(Cl)=CCl)C1CCOCC1.
What is the InChIKey of 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is ISYFCPFGZKSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-8(13-7-10(12)6-11)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 238.16 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103914764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).