N-[6-(dimethylamino)heptan-3-yl]propanamide

C12H26N2O — CID 163270923

IUPACN-[6-(dimethylamino)heptan-3-yl]propanamide
SMILESCCC(=O)NC(CC)CCC(C)N(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(13-12(15)7-2)9-8-10(3)14(4)5/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyBJKYKFCCVUNOOH-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds7

About N-[6-(dimethylamino)heptan-3-yl]propanamide

N-[6-(dimethylamino)heptan-3-yl]propanamide (PubChem CID 163270923) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[6-(dimethylamino)heptan-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)heptan-3-yl]propanamide
PubChem CID163270923
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[6-(dimethylamino)heptan-3-yl]propanamide
SMILESCCC(=O)NC(CC)CCC(C)N(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(13-12(15)7-2)9-8-10(3)14(4)5/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyBJKYKFCCVUNOOH-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)heptan-3-yl]propanamide?
The IUPAC name of N-[6-(dimethylamino)heptan-3-yl]propanamide (CID 163270923) is N-[6-(dimethylamino)heptan-3-yl]propanamide.
What is the SMILES notation for N-[6-(dimethylamino)heptan-3-yl]propanamide?
The canonical SMILES for N-[6-(dimethylamino)heptan-3-yl]propanamide is CCC(=O)NC(CC)CCC(C)N(C)C.
What is the InChIKey of N-[6-(dimethylamino)heptan-3-yl]propanamide?
The InChIKey is BJKYKFCCVUNOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-11(13-12(15)7-2)9-8-10(3)14(4)5/h10-11H,6-9H2,1-5H3,(H,13,15).
What are the key properties of N-[6-(dimethylamino)heptan-3-yl]propanamide?
N-[6-(dimethylamino)heptan-3-yl]propanamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)heptan-3-yl]propanamide is sourced from PubChem (CID 163270923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).