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N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

C30H52N4O2 — CID 121331717

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1.C=CCNCC1CCC(CNCC=C)O1
InChIInChI=1S/C18H30N2O.C12H22N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4;1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-8,17-18H,1-4,9-16H2;3-4,11-14H,1-2,5-10H2
InChIKeyHGQSFLMRHDJCKY-UHFFFAOYSA-N
MW500.77 g/mol
LogP3.97
Rot. Bonds20

About N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 121331717) has the molecular formula C30H52N4O2 and a molecular weight of 500.77 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
PubChem CID121331717
Molecular FormulaC30H52N4O2
Molecular Weight500.77 g/mol
Exact Mass500.41
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1.C=CCNCC1CCC(CNCC=C)O1
InChIInChI=1S/C18H30N2O.C12H22N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4;1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-8,17-18H,1-4,9-16H2;3-4,11-14H,1-2,5-10H2
InChIKeyHGQSFLMRHDJCKY-UHFFFAOYSA-N
XLogP3.97
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.77
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (CID 121331717) is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is C=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1.C=CCNCC1CCC(CNCC=C)O1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is HGQSFLMRHDJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.C12H22N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4;1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-8,17-18H,1-4,9-16H2;3-4,11-14H,1-2,5-10H2.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 500.77 g/mol, XLogP of 3.97, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 121331717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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