2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

C10H18ClNO — CID 47053877

IUPAC2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(CC)CC1CCOC1
InChIInChI=1S/C10H18ClNO/c1-3-12(6-9(2)11)7-10-4-5-13-8-10/h10H,2-8H2,1H3
InChIKeyZYLIYHABYVZALL-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.10
Rot. Bonds5

About 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 47053877) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID47053877
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(CC)CC1CCOC1
InChIInChI=1S/C10H18ClNO/c1-3-12(6-9(2)11)7-10-4-5-13-8-10/h10H,2-8H2,1H3
InChIKeyZYLIYHABYVZALL-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502282
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
3-ethyloxolane
CID 10996972
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-3-ylmethyl)propanamide
CID 62845627
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 95285929
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502800
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (CID 47053877) is 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is C=C(Cl)CN(CC)CC1CCOC1.
What is the InChIKey of 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is ZYLIYHABYVZALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-3-12(6-9(2)11)7-10-4-5-13-8-10/h10H,2-8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 47053877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).