N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

C16H30N2O — CID 62390953

IUPACN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1(CNCCC)CCOCC1
InChIInChI=1S/C16H30N2O/c1-4-9-17-14-16(7-12-19-13-8-16)15-18(10-5-2)11-6-3/h5-6,17H,2-4,7-15H2,1H3
InChIKeyUTALAFGMXJBKDS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.46
Rot. Bonds10

About N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62390953) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62390953
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1(CNCCC)CCOCC1
InChIInChI=1S/C16H30N2O/c1-4-9-17-14-16(7-12-19-13-8-16)15-18(10-5-2)11-6-3/h5-6,17H,2-4,7-15H2,1H3
InChIKeyUTALAFGMXJBKDS-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
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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Related Compounds

N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 55065992
N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066572
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55243012
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243013
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine
CID 62390241
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390242
N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine
CID 62390943
N-butyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-1-amine
CID 62390944
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62390952
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390954
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62391133

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62390953) is N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is C=CCN(CC=C)CC1(CNCCC)CCOCC1.
What is the InChIKey of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is UTALAFGMXJBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-9-17-14-16(7-12-19-13-8-16)15-18(10-5-2)11-6-3/h5-6,17H,2-4,7-15H2,1H3.
What are the key properties of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62390953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).