[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid

C15H30N2O3 — CID 22567642

IUPAC[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(C)CCCCCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O3/c1-16(2)11-5-4-6-12-20-14-9-7-13(8-10-14)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyFPZHYIRIPIHMHS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.66
Rot. Bonds8

About [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid

[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid (PubChem CID 22567642) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
PubChem CID22567642
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(C)CCCCCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O3/c1-16(2)11-5-4-6-12-20-14-9-7-13(8-10-14)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyFPZHYIRIPIHMHS-UHFFFAOYSA-N
XLogP2.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.66
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

methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
[4-(3-bromopropoxy)cyclohexyl]-methylcarbamic acid
CID 22567793
[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid
CID 22280845
tert-butyl N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]carbamate
CID 69197678
benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69198867
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064
[4-(trifluoromethyl)phenyl] N-[4-[4-(dimethoxyamino)butoxy]cyclohexyl]-N-methylcarbamate
CID 139983013
4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide
CID 22568006
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
2-cyclopentyloxy-N,N-dimethylethanamine
CID 142656921
16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
CID 177226499

Frequently Asked Questions

What is the IUPAC name of [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid (CID 22567642) is [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid is CN(C)CCCCCOC1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid?
The InChIKey is FPZHYIRIPIHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-16(2)11-5-4-6-12-20-14-9-7-13(8-10-14)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid?
[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid has a molecular weight of 286.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22567642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).