1,5-bis[bis(prop-2-enyl)amino]pentan-3-one

C17H28N2O — CID 174738090

IUPAC1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
SMILESC=CCN(CC=C)CCC(=O)CCN(CC=C)CC=C
InChIInChI=1S/C17H28N2O/c1-5-11-18(12-6-2)15-9-17(20)10-16-19(13-7-3)14-8-4/h5-8H,1-4,9-16H2
InChIKeyWGKQJCPZFYWQAQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds14

About 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one

1,5-bis[bis(prop-2-enyl)amino]pentan-3-one (PubChem CID 174738090) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one.

Molecular Properties

Compound Name1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
PubChem CID174738090
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
SMILESC=CCN(CC=C)CCC(=O)CCN(CC=C)CC=C
InChIInChI=1S/C17H28N2O/c1-5-11-18(12-6-2)15-9-17(20)10-16-19(13-7-3)14-8-4/h5-8H,1-4,9-16H2
InChIKeyWGKQJCPZFYWQAQ-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
CID 62623498
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
CID 88985186
3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
CID 68545523
3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
CID 110175440
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
3-[bis(prop-2-enyl)amino]propyl acetate
CID 87133425
ethyl 7-[bis(prop-2-enyl)amino]heptanoate
CID 15467062
3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one
CID 114059452
4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
CID 77074022
2-[4-[bis(prop-2-enyl)amino]butanoylamino]propanoic acid
CID 82042130
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one?
The IUPAC name of 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one (CID 174738090) is 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one.
What is the SMILES notation for 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one?
The canonical SMILES for 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one is C=CCN(CC=C)CCC(=O)CCN(CC=C)CC=C.
What is the InChIKey of 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one?
The InChIKey is WGKQJCPZFYWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-11-18(12-6-2)15-9-17(20)10-16-19(13-7-3)14-8-4/h5-8H,1-4,9-16H2.
What are the key properties of 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one?
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one has a molecular weight of 276.42 g/mol, XLogP of 2.68, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[bis(prop-2-enyl)amino]pentan-3-one is sourced from PubChem (CID 174738090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).