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

C10H18ClNO — CID 106437631

IUPAC3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCCCO1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyRYWXRCFOTLBTTM-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds4

About 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine

3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 106437631) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
PubChem CID106437631
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCCCO1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyRYWXRCFOTLBTTM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 61609445
2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 62331543
2-chloro-N-(oxan-2-ylmethyl)propan-1-amine
CID 65023541
3-chloro-N-(oxan-2-ylmethyl)butan-1-amine
CID 65024743
3-chloro-2-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 65032108
2-methylidene-N-(oxan-2-ylmethyl)butan-1-amine
CID 66045229
2,3-dichloro-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 79167262
(E)-4-chloro-N-(oxan-2-ylmethyl)but-2-en-1-amine
CID 81429409
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 103067709
N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 103069735
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 103069737
N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 103069740

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine (CID 106437631) is 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine is CC(=CCl)CNCC1CCCCO1.
What is the InChIKey of 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is RYWXRCFOTLBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h6,10,12H,2-5,7-8H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 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-(oxan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106437631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).