N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

C17H32N2O — CID 63741895

IUPACN-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)CC1(CNCC(C)C)CCCOC1
InChIInChI=1S/C17H32N2O/c1-5-9-19(10-6-2)14-17(8-7-11-20-15-17)13-18-12-16(3)4/h5-6,16,18H,1-2,7-15H2,3-4H3
InChIKeyQMQZAWBIKUJZOH-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.70
Rot. Bonds10

About N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63741895) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63741895
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)CC1(CNCC(C)C)CCCOC1
InChIInChI=1S/C17H32N2O/c1-5-9-19(10-6-2)14-17(8-7-11-20-15-17)13-18-12-16(3)4/h5-6,16,18H,1-2,7-15H2,3-4H3
InChIKeyQMQZAWBIKUJZOH-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 63741894
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 104554673
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057
2-methyl-N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55243009
N-[[3-(3-ethylsulfanylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 114113336
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 63741895) is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is C=CCN(CC=C)CC1(CNCC(C)C)CCCOC1.
What is the InChIKey of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QMQZAWBIKUJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-9-19(10-6-2)14-17(8-7-11-20-15-17)13-18-12-16(3)4/h5-6,16,18H,1-2,7-15H2,3-4H3.
What are the key properties of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.70, 10 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]oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63741895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).