2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine

C9H16ClNO — CID 63713766

IUPAC2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-7-9-2-4-12-5-3-9/h9,11H,1-7H2
InChIKeyBXFSFFDQROYBLR-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.76
Rot. Bonds4

About 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine

2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine (PubChem CID 63713766) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
PubChem CID63713766
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCOCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-7-9-2-4-12-5-3-9/h9,11H,1-7H2
InChIKeyBXFSFFDQROYBLR-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine (CID 63713766) is 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine is C=C(Cl)CNCC1CCOCC1.
What is the InChIKey of 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is BXFSFFDQROYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)6-11-7-9-2-4-12-5-3-9/h9,11H,1-7H2.
What are the key properties of 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 189.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 63713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).