methyl N-(6-aminohexyl)carbamate

C8H18N2O2 — CID 10103654

IUPACmethyl N-(6-aminohexyl)carbamate
SMILESCOC(=O)NCCCCCCN
InChIInChI=1S/C8H18N2O2/c1-12-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyPPNOBJDLQVQFIZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds6

About methyl N-(6-aminohexyl)carbamate

methyl N-(6-aminohexyl)carbamate (PubChem CID 10103654) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-aminohexyl)carbamate
PubChem CID10103654
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl N-(6-aminohexyl)carbamate
SMILESCOC(=O)NCCCCCCN
InChIInChI=1S/C8H18N2O2/c1-12-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyPPNOBJDLQVQFIZ-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 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 ≤ 50.86
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

Hexamethylenediamine carbamate
CID 8913
Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-diethyl ester
CID 76472
Methyl N-butylcarbamate
CID 96524
methyl N-[4-(methoxycarbonylamino)cyclohexyl]carbamate
CID 286634
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
Methyl cyclohexylcarbamate
CID 97437
N-(6-formamidohexyl)formamide
CID 252508
methyl N-octylcarbamate
CID 3561629
N,N'-Hexamethylenebis(isopropyl carbamate)
CID 5205065
Amylurethane
CID 95789
Butyl N-[6-(butoxycarbonylamino)hexyl]carbamate
CID 4144629

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-aminohexyl)carbamate?
The IUPAC name of methyl N-(6-aminohexyl)carbamate (CID 10103654) is methyl N-(6-aminohexyl)carbamate.
What is the SMILES notation for methyl N-(6-aminohexyl)carbamate?
The canonical SMILES for methyl N-(6-aminohexyl)carbamate is COC(=O)NCCCCCCN.
What is the InChIKey of methyl N-(6-aminohexyl)carbamate?
The InChIKey is PPNOBJDLQVQFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-12-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of methyl N-(6-aminohexyl)carbamate?
methyl N-(6-aminohexyl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-aminohexyl)carbamate is sourced from PubChem (CID 10103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).