(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate

C14H27NO2 — CID 177225859

IUPAC(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate
SMILESCC(C)(CCC1CC1)OC(=O)CCCCCN
InChIInChI=1S/C14H27NO2/c1-14(2,10-9-12-7-8-12)17-13(16)6-4-3-5-11-15/h12H,3-11,15H2,1-2H3
InChIKeyFLMHHAQLYUHBSL-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds9

About (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate

(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate (PubChem CID 177225859) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate
PubChem CID177225859
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate
SMILESCC(C)(CCC1CC1)OC(=O)CCCCCN
InChIInChI=1S/C14H27NO2/c1-14(2,10-9-12-7-8-12)17-13(16)6-4-3-5-11-15/h12H,3-11,15H2,1-2H3
InChIKeyFLMHHAQLYUHBSL-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methylbutan-2-yl) hexanoate
CID 175123219
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
methyl 10-aminodecanoate
CID 10655700
9-aminononanoyl 12-aminododecanoate
CID 88667925
tert-butyl 22-(4-acetylcyclohexyl)-20-oxodocosanoate
CID 157460111
cyclooctyl 7-aminoheptanoate
CID 21259475
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-methyldodecan-6-yl 4-aminobutanoate
CID 174355900
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
5-cyclopropylpentyl tetradecanoate
CID 21445891

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate?
The IUPAC name of (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate (CID 177225859) is (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate.
What is the SMILES notation for (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate?
The canonical SMILES for (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate is CC(C)(CCC1CC1)OC(=O)CCCCCN.
What is the InChIKey of (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate?
The InChIKey is FLMHHAQLYUHBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,10-9-12-7-8-12)17-13(16)6-4-3-5-11-15/h12H,3-11,15H2,1-2H3.
What are the key properties of (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate?
(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate has a molecular weight of 241.37 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate is sourced from PubChem (CID 177225859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).