N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide

C13H26N2O — CID 115706536

IUPACN-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
SMILESC=CCCC(CC)NCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-7-8-12(6-2)14-9-10-15-13(16)11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyGEHPIYWXJOWTGB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.09
Rot. Bonds9

About N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide

N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide (PubChem CID 115706536) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
PubChem CID115706536
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
SMILESC=CCCC(CC)NCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-7-8-12(6-2)14-9-10-15-13(16)11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyGEHPIYWXJOWTGB-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
CID 115905349
N-but-3-enyl-2-methylpropanamide
CID 3434507
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
CID 123348452
N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
CID 115976246
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717053
3-(hept-6-en-3-ylamino)butanamide
CID 115867780
2-bromo-N-but-3-enylpropanamide
CID 107905743
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine
CID 115708651
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668

Frequently Asked Questions

What is the IUPAC name of N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide (CID 115706536) is N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide is C=CCCC(CC)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide?
The InChIKey is GEHPIYWXJOWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-8-12(6-2)14-9-10-15-13(16)11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide?
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 115706536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).