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

C15H30N2O2 — CID 22567650

IUPAC[4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid
SMILESCN(C)CCCCCC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-16(2)12-6-4-5-7-13-8-10-14(11-9-13)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyQPVLYDRHFRQAAU-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.28
Rot. Bonds7

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

[4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid (PubChem CID 22567650) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid
PubChem CID22567650
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid
SMILESCN(C)CCCCCC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-16(2)12-6-4-5-7-13-8-10-14(11-9-13)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyQPVLYDRHFRQAAU-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid (CID 22567650) is [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid is CN(C)CCCCCC1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid?
The InChIKey is QPVLYDRHFRQAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-16(2)12-6-4-5-7-13-8-10-14(11-9-13)17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid?
[4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid has a molecular weight of 270.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22567650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).