2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine

C13H22ClNO2 — CID 47039082

IUPAC2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H22ClNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2
InChIKeyBJKDEEVCMIQFEJ-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.40
Rot. Bonds6

About 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine

2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 47039082) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID47039082
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H22ClNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2
InChIKeyBJKDEEVCMIQFEJ-UHFFFAOYSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (CID 47039082) is 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is C=C(Cl)CN(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is BJKDEEVCMIQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2.
What are the key properties of 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 259.78 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 47039082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).