N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H26N2O — CID 55052016

IUPACN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESC=CCN(CC=C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H26N2O/c1-3-8-17(9-4-2)12-15(7-10-18-13-15)11-16-14-5-6-14/h3-4,14,16H,1-2,5-13H2
InChIKeyXKAJVKAGRRTRIA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.82
Rot. Bonds9

About N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55052016) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55052016
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESC=CCN(CC=C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H26N2O/c1-3-8-17(9-4-2)12-15(7-10-18-13-15)11-16-14-5-6-14/h3-4,14,16H,1-2,5-13H2
InChIKeyXKAJVKAGRRTRIA-UHFFFAOYSA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55052016) is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is C=CCN(CC=C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is XKAJVKAGRRTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-8-17(9-4-2)12-15(7-10-18-13-15)11-16-14-5-6-14/h3-4,14,16H,1-2,5-13H2.
What are the key properties of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55052016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).