N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine

C9H16ClNO — CID 107900348

IUPACN-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine
SMILESCC1(NC/C=C/Cl)CCOCC1
InChIInChI=1S/C9H16ClNO/c1-9(11-6-2-5-10)3-7-12-8-4-9/h2,5,11H,3-4,6-8H2,1H3/b5-2+
InChIKeyCAXOFFAJAUOADX-GORDUTHDSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine

N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine (PubChem CID 107900348) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine
PubChem CID107900348
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine
SMILESCC1(NC/C=C/Cl)CCOCC1
InChIInChI=1S/C9H16ClNO/c1-9(11-6-2-5-10)3-7-12-8-4-9/h2,5,11H,3-4,6-8H2,1H3/b5-2+
InChIKeyCAXOFFAJAUOADX-GORDUTHDSA-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

4-methyl-N-prop-2-enyloxan-4-amine
CID 116231351
(E)-4-chloro-N-(oxan-4-ylmethyl)but-2-en-1-amine
CID 81429812
N-[(E)-4-chlorobut-2-enyl]oxan-4-amine
CID 81430412
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine
CID 103581223
N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
CID 103830641
(E)-3-chloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914866
N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
(E)-3-chloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
CID 104892139
N-[(E)-3-chloroprop-2-enyl]-3-methyloxan-3-amine
CID 105796425
N-[(E)-4-chlorobut-2-enyl]-3-methyloxan-3-amine
CID 105796516
(E)-4-chloro-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine
CID 105808895
(E)-3-chloro-N-[(4-methyloxan-4-yl)methyl]prop-2-en-1-amine
CID 105893254

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine (CID 107900348) is N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine is CC1(NC/C=C/Cl)CCOCC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine?
The InChIKey is CAXOFFAJAUOADX-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(11-6-2-5-10)3-7-12-8-4-9/h2,5,11H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine?
N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-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-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine is sourced from PubChem (CID 107900348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).