methyl N-(hexylamino)carbamate

C8H18N2O2 — CID 141204686

IUPACmethyl N-(hexylamino)carbamate
SMILESCCCCCCNNC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyZSDZKYDLPAVXCC-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.43
Rot. Bonds6

About methyl N-(hexylamino)carbamate

methyl N-(hexylamino)carbamate (PubChem CID 141204686) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl N-(hexylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(hexylamino)carbamate
PubChem CID141204686
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl N-(hexylamino)carbamate
SMILESCCCCCCNNC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyZSDZKYDLPAVXCC-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(octylamino)carbamate
CID 107237086
2-methoxy-N'-tetradecylacetohydrazide
CID 72545005
methyl N-nonylcarbamate
CID 5102101
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
2-oxo-2-(2-pentylhydrazinyl)acetamide
CID 174616394
acetic acid;1-octadecyl-2-propylhydrazine
CID 22323613
1-butyl-2-octylhydrazine
CID 88598240
ethyl carbamate;(pentylamino)urea;urea
CID 88729950
nonylcarbamoperoxoic acid
CID 140999734
N-[(pentylamino)carbamoyl]formamide
CID 88628708

Frequently Asked Questions

What is the IUPAC name of methyl N-(hexylamino)carbamate?
The IUPAC name of methyl N-(hexylamino)carbamate (CID 141204686) is methyl N-(hexylamino)carbamate.
What is the SMILES notation for methyl N-(hexylamino)carbamate?
The canonical SMILES for methyl N-(hexylamino)carbamate is CCCCCCNNC(=O)OC.
What is the InChIKey of methyl N-(hexylamino)carbamate?
The InChIKey is ZSDZKYDLPAVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(hexylamino)carbamate?
methyl N-(hexylamino)carbamate has a molecular weight of 174.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(hexylamino)carbamate is sourced from PubChem (CID 141204686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).