prop-2-ynyl N-[6-(methylamino)hexyl]carbamate

C11H20N2O2 — CID 145294599

IUPACprop-2-ynyl N-[6-(methylamino)hexyl]carbamate
SMILESC#CCOC(=O)NCCCCCCNC
InChIInChI=1S/C11H20N2O2/c1-3-10-15-11(14)13-9-7-5-4-6-8-12-2/h1,12H,4-10H2,2H3,(H,13,14)
InChIKeyNPRUCXLJFUCUPF-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.13
Rot. Bonds8

About prop-2-ynyl N-[6-(methylamino)hexyl]carbamate

prop-2-ynyl N-[6-(methylamino)hexyl]carbamate (PubChem CID 145294599) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is prop-2-ynyl N-[6-(methylamino)hexyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[6-(methylamino)hexyl]carbamate
PubChem CID145294599
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameprop-2-ynyl N-[6-(methylamino)hexyl]carbamate
SMILESC#CCOC(=O)NCCCCCCNC
InChIInChI=1S/C11H20N2O2/c1-3-10-15-11(14)13-9-7-5-4-6-8-12-2/h1,12H,4-10H2,2H3,(H,13,14)
InChIKeyNPRUCXLJFUCUPF-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(prop-2-ynoxycarbonylamino)pentanoic acid
CID 144787697
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
2,6-bis(prop-2-ynoxycarbonylamino)hexanoic acid
CID 90390791
tetradecyl 3-(prop-2-ynoxycarbonylamino)propanoate
CID 91721442
heptyl 3-(prop-2-ynoxycarbonylamino)propanoate
CID 91693403
ethyl N-(3-prop-2-ynoxypropyl)carbamate
CID 142615983
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
prop-2-ynyl N-(3-triethoxysilylpropyl)carbamate;1-prop-2-ynyl-3-(3-triethoxysilylpropyl)urea
CID 158429621
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[6-(methylamino)hexyl]carbamate?
The IUPAC name of prop-2-ynyl N-[6-(methylamino)hexyl]carbamate (CID 145294599) is prop-2-ynyl N-[6-(methylamino)hexyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[6-(methylamino)hexyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[6-(methylamino)hexyl]carbamate is C#CCOC(=O)NCCCCCCNC.
What is the InChIKey of prop-2-ynyl N-[6-(methylamino)hexyl]carbamate?
The InChIKey is NPRUCXLJFUCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-10-15-11(14)13-9-7-5-4-6-8-12-2/h1,12H,4-10H2,2H3,(H,13,14).
What are the key properties of prop-2-ynyl N-[6-(methylamino)hexyl]carbamate?
prop-2-ynyl N-[6-(methylamino)hexyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[6-(methylamino)hexyl]carbamate is sourced from PubChem (CID 145294599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).