N-methyldecan-1-amine;methyl N-decylcarbamate

C23H50N2O2 — CID 137370679

IUPACN-methyldecan-1-amine;methyl N-decylcarbamate
SMILESCCCCCCCCCCNC.CCCCCCCCCCNC(=O)OC
InChIInChI=1S/C12H25NO2.C11H25N/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2;1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3,(H,13,14);12H,3-11H2,1-2H3
InChIKeyJQHYYFGQOCXOMD-UHFFFAOYSA-N
MW386.67 g/mol
LogP6.83
Rot. Bonds18

About N-methyldecan-1-amine;methyl N-decylcarbamate

N-methyldecan-1-amine;methyl N-decylcarbamate (PubChem CID 137370679) has the molecular formula C23H50N2O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is N-methyldecan-1-amine;methyl N-decylcarbamate.

Molecular Properties

Compound NameN-methyldecan-1-amine;methyl N-decylcarbamate
PubChem CID137370679
Molecular FormulaC23H50N2O2
Molecular Weight386.67 g/mol
Exact Mass386.39
IUPAC NameN-methyldecan-1-amine;methyl N-decylcarbamate
SMILESCCCCCCCCCCNC.CCCCCCCCCCNC(=O)OC
InChIInChI=1S/C12H25NO2.C11H25N/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2;1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3,(H,13,14);12H,3-11H2,1-2H3
InChIKeyJQHYYFGQOCXOMD-UHFFFAOYSA-N
XLogP6.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
nonylcarbamoperoxoic acid
CID 140999734
N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
CID 158116077
tert-butyl N-nonylcarbamate;ethane
CID 168941348
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
methyl hydrogen sulfate;N-methyltetradecan-1-amine
CID 173229192

Frequently Asked Questions

What is the IUPAC name of N-methyldecan-1-amine;methyl N-decylcarbamate?
The IUPAC name of N-methyldecan-1-amine;methyl N-decylcarbamate (CID 137370679) is N-methyldecan-1-amine;methyl N-decylcarbamate.
What is the SMILES notation for N-methyldecan-1-amine;methyl N-decylcarbamate?
The canonical SMILES for N-methyldecan-1-amine;methyl N-decylcarbamate is CCCCCCCCCCNC.CCCCCCCCCCNC(=O)OC.
What is the InChIKey of N-methyldecan-1-amine;methyl N-decylcarbamate?
The InChIKey is JQHYYFGQOCXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C11H25N/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2;1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3,(H,13,14);12H,3-11H2,1-2H3.
What are the key properties of N-methyldecan-1-amine;methyl N-decylcarbamate?
N-methyldecan-1-amine;methyl N-decylcarbamate has a molecular weight of 386.67 g/mol, XLogP of 6.83, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldecan-1-amine;methyl N-decylcarbamate is sourced from PubChem (CID 137370679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).