3-(methylamino)heptanamide

C8H18N2O — CID 65236742

IUPAC3-(methylamino)heptanamide
SMILESCCCCC(CC(N)=O)NC
InChIInChI=1S/C8H18N2O/c1-3-4-5-7(10-2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyCHQNRJZGNPVRKT-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds6

About 3-(methylamino)heptanamide

3-(methylamino)heptanamide (PubChem CID 65236742) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-(methylamino)heptanamide.

Molecular Properties

Compound Name3-(methylamino)heptanamide
PubChem CID65236742
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-(methylamino)heptanamide
SMILESCCCCC(CC(N)=O)NC
InChIInChI=1S/C8H18N2O/c1-3-4-5-7(10-2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyCHQNRJZGNPVRKT-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-octan-4-ylbutanediamide
CID 113288677
3-chloroheptanamide
CID 174735984
3-(methylamino)heptan-1-ol
CID 13033821
3-(heptan-3-ylamino)propanamide
CID 63944906
N-methyl-2-octadecylbutanediamide
CID 88809525
3-tetradecylheptadecanamide
CID 89491134
3-aminoundecanamide
CID 154005326
2-(octan-4-ylamino)propanamide
CID 103776431
4-chloro-3-propyloctanamide
CID 174612729
3-propyloctanamide
CID 87886173
N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
CID 166807925
ethyl 3-(ethylamino)heptanoate
CID 65233712

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)heptanamide?
The IUPAC name of 3-(methylamino)heptanamide (CID 65236742) is 3-(methylamino)heptanamide.
What is the SMILES notation for 3-(methylamino)heptanamide?
The canonical SMILES for 3-(methylamino)heptanamide is CCCCC(CC(N)=O)NC.
What is the InChIKey of 3-(methylamino)heptanamide?
The InChIKey is CHQNRJZGNPVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-7(10-2)6-8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 3-(methylamino)heptanamide?
3-(methylamino)heptanamide has a molecular weight of 158.25 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)heptanamide is sourced from PubChem (CID 65236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).