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

C16H30N2O — CID 62390954

IUPACN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESC=CCN(CC=C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H30N2O/c1-5-9-18(10-6-2)14-16(13-17-15(3)4)7-11-19-12-8-16/h5-6,15,17H,1-2,7-14H2,3-4H3
InChIKeyYHVHGCHUIRIPKP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.46
Rot. Bonds9

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

N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62390954) 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-2-amine.

Molecular Properties

Compound NameN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62390954
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESC=CCN(CC=C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H30N2O/c1-5-9-18(10-6-2)14-16(13-17-15(3)4)7-11-19-12-8-16/h5-6,15,17H,1-2,7-14H2,3-4H3
InChIKeyYHVHGCHUIRIPKP-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 55065992
N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066185
N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]-N-propylpropan-1-amine
CID 55066186
N,2,2-trimethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55067102
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243013
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62262397
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390416
N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
CID 62390423
N-methyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]pentan-2-amine
CID 62390432
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine
CID 62390433
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-2-amine
CID 62390598
N-[[4-[[propan-2-yl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390950

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (CID 62390954) is N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is C=CCN(CC=C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is YHVHGCHUIRIPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-9-18(10-6-2)14-16(13-17-15(3)4)7-11-19-12-8-16/h5-6,15,17H,1-2,7-14H2,3-4H3.
What are the key properties of N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.46, 9 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-2-amine is sourced from PubChem (CID 62390954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).