7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide

C13H27N3O2 — CID 61249058

IUPAC7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-11(2)13(18)16-10-9-15-12(17)7-5-3-4-6-8-14/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMLYVKGAZOUPUDY-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.78
Rot. Bonds10

About 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide

7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide (PubChem CID 61249058) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
PubChem CID61249058
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-11(2)13(18)16-10-9-15-12(17)7-5-3-4-6-8-14/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMLYVKGAZOUPUDY-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide (CID 61249058) is 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide is CC(C)C(=O)NCCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide?
The InChIKey is MLYVKGAZOUPUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)13(18)16-10-9-15-12(17)7-5-3-4-6-8-14/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide?
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide has a molecular weight of 257.38 g/mol, XLogP of 0.78, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide is sourced from PubChem (CID 61249058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).