7-(dipropylamino)hept-2-enamide

C13H26N2O — CID 173402541

IUPAC7-(dipropylamino)hept-2-enamide
SMILESCCCN(CCC)CCCCC=CC(N)=O
InChIInChI=1S/C13H26N2O/c1-3-10-15(11-4-2)12-8-6-5-7-9-13(14)16/h7,9H,3-6,8,10-12H2,1-2H3,(H2,14,16)
InChIKeyANBQKEMZVWVATK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.32
Rot. Bonds10

About 7-(dipropylamino)hept-2-enamide

7-(dipropylamino)hept-2-enamide (PubChem CID 173402541) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-(dipropylamino)hept-2-enamide.

Molecular Properties

Compound Name7-(dipropylamino)hept-2-enamide
PubChem CID173402541
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name7-(dipropylamino)hept-2-enamide
SMILESCCCN(CCC)CCCCC=CC(N)=O
InChIInChI=1S/C13H26N2O/c1-3-10-15(11-4-2)12-8-6-5-7-9-13(14)16/h7,9H,3-6,8,10-12H2,1-2H3,(H2,14,16)
InChIKeyANBQKEMZVWVATK-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-non-2-enamide
CID 97047009
docosa-2,13-dienamide
CID 91597038
butane-1-sulfonic acid;5-(dipropylamino)pent-2-enamide
CID 174880367
hept-2-enamide;dihydrochloride
CID 142841404
trideca-2,6-dienamide
CID 163862607
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
(E)-hex-2-enamide;hydrochloride
CID 141291310
(E)-N,N-dipropylundec-8-en-1-amine
CID 22171945
N,N-dioctyloctan-1-amine;(E)-hex-2-enoic acid
CID 173099199
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
(2E,4Z)-deca-2,4-dienamide
CID 87184515
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903

Frequently Asked Questions

What is the IUPAC name of 7-(dipropylamino)hept-2-enamide?
The IUPAC name of 7-(dipropylamino)hept-2-enamide (CID 173402541) is 7-(dipropylamino)hept-2-enamide.
What is the SMILES notation for 7-(dipropylamino)hept-2-enamide?
The canonical SMILES for 7-(dipropylamino)hept-2-enamide is CCCN(CCC)CCCCC=CC(N)=O.
What is the InChIKey of 7-(dipropylamino)hept-2-enamide?
The InChIKey is ANBQKEMZVWVATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10-15(11-4-2)12-8-6-5-7-9-13(14)16/h7,9H,3-6,8,10-12H2,1-2H3,(H2,14,16).
What are the key properties of 7-(dipropylamino)hept-2-enamide?
7-(dipropylamino)hept-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipropylamino)hept-2-enamide is sourced from PubChem (CID 173402541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).