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

C14H25NO2 — CID 51081665

IUPAC2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H25NO2/c1-12(2)9-15(10-13-5-3-7-16-13)11-14-6-4-8-17-14/h13-14H,1,3-11H2,2H3
InChIKeyVRGUYBHFEHRGRU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.22
Rot. Bonds6

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

2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 51081665) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID51081665
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H25NO2/c1-12(2)9-15(10-13-5-3-7-16-13)11-14-6-4-8-17-14/h13-14H,1,3-11H2,2H3
InChIKeyVRGUYBHFEHRGRU-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (CID 51081665) is 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is C=C(C)CN(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is VRGUYBHFEHRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)9-15(10-13-5-3-7-16-13)11-14-6-4-8-17-14/h13-14H,1,3-11H2,2H3.
What are the key properties of 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 51081665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).