N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine

C9H16ClNO — CID 106437760

IUPACN-(3-chloro-2-methylprop-2-enyl)oxan-3-amine
SMILESCC(=CCl)CNC1CCCOC1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-9-3-2-4-12-7-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyYFVDSTAOJUAKSS-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine

N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine (PubChem CID 106437760) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)oxan-3-amine
PubChem CID106437760
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)oxan-3-amine
SMILESCC(=CCl)CNC1CCCOC1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-9-3-2-4-12-7-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyYFVDSTAOJUAKSS-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)oxan-3-amine
CID 63363458
N-(2-methylprop-2-enyl)oxan-3-amine
CID 63363550
N-(2-methylidenebutyl)oxan-3-amine
CID 66045235
N-(2,3-dichloroprop-2-enyl)oxan-3-amine
CID 79167366
N-(2,3-dichloroprop-2-enyl)-1-methoxypentan-2-amine
CID 79167556
N-[(E)-4-chlorobut-2-enyl]oxan-3-amine
CID 81429418
N-(3-methylbut-2-enyl)oxan-3-amine
CID 103832850
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
(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914866
N-[(E)-3-chloroprop-2-enyl]-3-methyloxan-3-amine
CID 105796425
N-(2,3-dichloroprop-2-enyl)-3-methyloxan-3-amine
CID 105796487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine (CID 106437760) is N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine is CC(=CCl)CNC1CCCOC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine?
The InChIKey is YFVDSTAOJUAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(5-10)6-11-9-3-2-4-12-7-9/h5,9,11H,2-4,6-7H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine?
N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 3 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)oxan-3-amine is sourced from PubChem (CID 106437760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).