N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

C12H22N2O — CID 67976693

IUPACN-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1(CNCC=C)CCCO1
InChIInChI=1S/C12H22N2O/c1-3-7-13-10-12(6-5-9-15-12)11-14-8-4-2/h3-4,13-14H,1-2,5-11H2
InChIKeySYHBJWQTTDMKIA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.09
Rot. Bonds8

About N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 67976693) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
PubChem CID67976693
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1(CNCC=C)CCCO1
InChIInChI=1S/C12H22N2O/c1-3-7-13-10-12(6-5-9-15-12)11-14-8-4-2/h3-4,13-14H,1-2,5-11H2
InChIKeySYHBJWQTTDMKIA-UHFFFAOYSA-N
XLogP1.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (CID 67976693) is N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is C=CCNCC1(CNCC=C)CCCO1.
What is the InChIKey of N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is SYHBJWQTTDMKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-7-13-10-12(6-5-9-15-12)11-14-8-4-2/h3-4,13-14H,1-2,5-11H2.
What are the key properties of N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 67976693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).