N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide

C13H24N2O — CID 115976246

IUPACN-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
SMILESC=CCCC(CC)NCC(=O)NCC1CC1
InChIInChI=1S/C13H24N2O/c1-3-5-6-12(4-2)14-10-13(16)15-9-11-7-8-11/h3,11-12,14H,1,4-10H2,2H3,(H,15,16)
InChIKeyFWMIKASWLNEQQZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds9

About N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide

N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide (PubChem CID 115976246) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
PubChem CID115976246
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
SMILESC=CCCC(CC)NCC(=O)NCC1CC1
InChIInChI=1S/C13H24N2O/c1-3-5-6-12(4-2)14-10-13(16)15-9-11-7-8-11/h3,11-12,14H,1,4-10H2,2H3,(H,15,16)
InChIKeyFWMIKASWLNEQQZ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-[(1,1-dioxothiolan-3-yl)methyl]hept-6-en-3-amine
CID 75427554
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
CID 115707624
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
N-carbamoyl-2-(1-cyclopropylbutan-2-ylamino)acetamide
CID 63995737
N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
CID 112623674
N-ethyl-2-(pentan-3-ylamino)acetamide
CID 28566551
N-cyclopropyl-2-(hex-5-en-2-ylamino)acetamide
CID 104655408

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide (CID 115976246) is N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide is C=CCCC(CC)NCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide?
The InChIKey is FWMIKASWLNEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-6-12(4-2)14-10-13(16)15-9-11-7-8-11/h3,11-12,14H,1,4-10H2,2H3,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide?
N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide is sourced from PubChem (CID 115976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).