CID 43558687

C14H27N2O — CID 43558687

IUPAC—
SMILESCC(C)CC(C)NC(=O)CCC1CCC[N]C1
InChIInChI=1S/C14H27N2O/c1-11(2)9-12(3)16-14(17)7-6-13-5-4-8-15-10-13/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeySEGRKKLHYZLKAA-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.33
Rot. Bonds6

About CID 43558687

CID 43558687 (PubChem CID 43558687) has the molecular formula C14H27N2O and a molecular weight of 239.38 g/mol.

Molecular Properties

Compound NameCID 43558687
PubChem CID43558687
Molecular FormulaC14H27N2O
Molecular Weight239.38 g/mol
Exact Mass239.21
IUPAC Name—
SMILESCC(C)CC(C)NC(=O)CCC1CCC[N]C1
InChIInChI=1S/C14H27N2O/c1-11(2)9-12(3)16-14(17)7-6-13-5-4-8-15-10-13/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeySEGRKKLHYZLKAA-UHFFFAOYSA-N
XLogP2.33
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43558685
CID 43572467
CID 43572467
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
CID 43558701
CID 43558701
CID 43558595
CID 43558595
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
CID 43558561
CID 43558561
CID 43558533
CID 43558533
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074

Frequently Asked Questions

What is the IUPAC name of CID 43558687?
The IUPAC name of CID 43558687 (CID 43558687) is not available.
What is the SMILES notation for CID 43558687?
The canonical SMILES for CID 43558687 is CC(C)CC(C)NC(=O)CCC1CCC[N]C1.
What is the InChIKey of CID 43558687?
The InChIKey is SEGRKKLHYZLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2O/c1-11(2)9-12(3)16-14(17)7-6-13-5-4-8-15-10-13/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of CID 43558687?
CID 43558687 has a molecular weight of 239.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558687 is sourced from PubChem (CID 43558687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).