3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine

C10H18ClNO — CID 106438245

IUPAC3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCOC1C
InChIInChI=1S/C10H18ClNO/c1-8(5-11)6-12-7-10-3-4-13-9(10)2/h5,9-10,12H,3-4,6-7H2,1-2H3
InChIKeyCHKDCXPUFOEONA-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine

3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine (PubChem CID 106438245) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
PubChem CID106438245
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCOC1C
InChIInChI=1S/C10H18ClNO/c1-8(5-11)6-12-7-10-3-4-13-9(10)2/h5,9-10,12H,3-4,6-7H2,1-2H3
InChIKeyCHKDCXPUFOEONA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine (CID 106438245) is 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine is CC(=CCl)CNCC1CCOC1C.
What is the InChIKey of 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is CHKDCXPUFOEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(5-11)6-12-7-10-3-4-13-9(10)2/h5,9-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]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 3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106438245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).