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

C10H18ClNO — CID 106437548

IUPAC3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCCO1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-4-10-3-2-6-13-10/h7,10,12H,2-6,8H2,1H3
InChIKeySYUFGTPAPJQBSP-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds5

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

3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 106437548) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID106437548
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCCO1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-4-10-3-2-6-13-10/h7,10,12H,2-6,8H2,1H3
InChIKeySYUFGTPAPJQBSP-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (CID 106437548) is 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine is CC(=CCl)CNCCC1CCCO1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is SYUFGTPAPJQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-4-10-3-2-6-13-10/h7,10,12H,2-6,8H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 5 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-(oxolan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 106437548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).