methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid

C16H32N2O3 — CID 20760582

IUPACmethyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
SMILESCCCN(C)CCCCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O3/c1-4-11-17(2)12-5-6-13-21-15-9-7-14(8-10-15)18(3)16(19)20/h14-15H,4-13H2,1-3H3,(H,19,20)
InChIKeyDPBGDDNUCBDWJO-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.05
Rot. Bonds9

About methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid

methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid (PubChem CID 20760582) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
PubChem CID20760582
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
SMILESCCCN(C)CCCCOC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O3/c1-4-11-17(2)12-5-6-13-21-15-9-7-14(8-10-15)18(3)16(19)20/h14-15H,4-13H2,1-3H3,(H,19,20)
InChIKeyDPBGDDNUCBDWJO-UHFFFAOYSA-N
XLogP3.05
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.05
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-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
CID 22567642
[4-(3-bromopropoxy)cyclohexyl]-methylcarbamic acid
CID 22567793
3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
CID 167156587
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
[4-[3-[3-hydroxypropyl(methyl)amino]-3-oxopropoxy]cyclohexyl]-methylcarbamic acid
CID 22280845
benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69198867
3-(2,4-dimethylphenyl)-1-methyl-1-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]urea
CID 70022878
N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
CID 70021761
tert-butyl N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]carbamate
CID 69197678
methyl-[4-[2-[methyl(pentyl)amino]ethylsulfanylmethyl]cyclohexyl]carbamic acid
CID 70021272
4-[6-[methyl(pentyl)amino]hexoxy]piperidine-1-sulfonic acid
CID 70012762
4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide
CID 22568006

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid (CID 20760582) is methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid is CCCN(C)CCCCOC1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid?
The InChIKey is DPBGDDNUCBDWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-11-17(2)12-5-6-13-21-15-9-7-14(8-10-15)18(3)16(19)20/h14-15H,4-13H2,1-3H3,(H,19,20).
What are the key properties of methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid?
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid has a molecular weight of 300.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid is sourced from PubChem (CID 20760582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).