N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide

C10H15ClN2O — CID 123900688

IUPACN-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
SMILESC=C(C=CC(Cl)=CC)C(=O)NCCN
InChIInChI=1S/C10H15ClN2O/c1-3-9(11)5-4-8(2)10(14)13-7-6-12/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeySQFLSNCQOUDHSN-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.32
Rot. Bonds5

About N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide

N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide (PubChem CID 123900688) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
PubChem CID123900688
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
SMILESC=C(C=CC(Cl)=CC)C(=O)NCCN
InChIInChI=1S/C10H15ClN2O/c1-3-9(11)5-4-8(2)10(14)13-7-6-12/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeySQFLSNCQOUDHSN-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87507056
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CID 178020094
N,N'-bis(2-aminoethyl)but-2-enediamide
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2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide
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(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide
CID 178025115
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diamine
CID 55288959
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide?
The IUPAC name of N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide (CID 123900688) is N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide is C=C(C=CC(Cl)=CC)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide?
The InChIKey is SQFLSNCQOUDHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-9(11)5-4-8(2)10(14)13-7-6-12/h3-5H,2,6-7,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide?
N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide has a molecular weight of 214.70 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 123900688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).