6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid

C16H27NO3 — CID 60949466

IUPAC6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H27NO3/c18-15(8-4-5-9-16(19)20)17(14-10-11-14)12-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,19,20)
InChIKeyBJNNILBENNSHKS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds8

About 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid

6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid (PubChem CID 60949466) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
PubChem CID60949466
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H27NO3/c18-15(8-4-5-9-16(19)20)17(14-10-11-14)12-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,19,20)
InChIKeyBJNNILBENNSHKS-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane
CID 142880292
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
N-cyclopropyl-N-(piperidin-4-ylmethyl)hexanamide
CID 79720359

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid (CID 60949466) is 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid?
The InChIKey is BJNNILBENNSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(8-4-5-9-16(19)20)17(14-10-11-14)12-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,19,20).
What are the key properties of 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid?
6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 60949466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).