methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate

C10H16N2O3 — CID 177307404

IUPACmethyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
SMILESC#CCCCC(=O)NCCNC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-9(13)11-7-8-12-10(14)15-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyFKCKNRXRGZXRGV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.26
Rot. Bonds6

About methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate

methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate (PubChem CID 177307404) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
PubChem CID177307404
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
SMILESC#CCCCC(=O)NCCNC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-9(13)11-7-8-12-10(14)15-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyFKCKNRXRGZXRGV-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.26
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'}

Analyze methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
methyl N-[2-[[2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]ethyl]carbamate
CID 177307402
methyl N-hex-5-ynylcarbamate
CID 103758218
N-but-3-ynylhex-5-ynamide
CID 10630847
N-(2-chloroethyl)hex-5-ynamide
CID 102137890
methyl-bis[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-[2-(non-8-ynoylamino)ethyl]azanium
CID 176817039
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
methyl N-[2-(prop-2-ynylamino)ethyl]carbamate
CID 89315240
tert-butyl N-[6-[[5-oxo-5-(prop-2-ynylamino)pentanoyl]amino]hexyl]carbamate
CID 131750260
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
CID 123413262

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate (CID 177307404) is methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate is C#CCCCC(=O)NCCNC(=O)OC.
What is the InChIKey of methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate?
The InChIKey is FKCKNRXRGZXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-5-6-9(13)11-7-8-12-10(14)15-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate?
methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate is sourced from PubChem (CID 177307404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).