methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate

C14H27NO3 — CID 103254108

IUPACmethyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
SMILESCCCCC(NCC1CCCCC1O)C(=O)OC
InChIInChI=1S/C14H27NO3/c1-3-4-8-12(14(17)18-2)15-10-11-7-5-6-9-13(11)16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyLFMXVUAYKGWJFP-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds7

About methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate

methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate (PubChem CID 103254108) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
PubChem CID103254108
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
SMILESCCCCC(NCC1CCCCC1O)C(=O)OC
InChIInChI=1S/C14H27NO3/c1-3-4-8-12(14(17)18-2)15-10-11-7-5-6-9-13(11)16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyLFMXVUAYKGWJFP-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
ethyl 2-[(2-hydroxycyclohexyl)methylamino]butanoate
CID 64913476
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467
2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
CID 64927417
methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
CID 114133037
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate?
The IUPAC name of methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate (CID 103254108) is methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate.
What is the SMILES notation for methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate?
The canonical SMILES for methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate is CCCCC(NCC1CCCCC1O)C(=O)OC.
What is the InChIKey of methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate?
The InChIKey is LFMXVUAYKGWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-4-8-12(14(17)18-2)15-10-11-7-5-6-9-13(11)16/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate?
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate has a molecular weight of 257.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate is sourced from PubChem (CID 103254108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).