2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate

C9H18N2O2 — CID 83211737

IUPAC2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)C1(C)CC1
InChIInChI=1S/C9H18N2O2/c1-7(9(2)3-4-9)11-5-6-13-8(10)12/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeySOVFZHTXDNINIH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.86
Rot. Bonds5

About 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate

2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate (PubChem CID 83211737) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
PubChem CID83211737
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)C1(C)CC1
InChIInChI=1S/C9H18N2O2/c1-7(9(2)3-4-9)11-5-6-13-8(10)12/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeySOVFZHTXDNINIH-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
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

2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
N-[2-[1-(1-methylcyclopropyl)ethylamino]ethyl]acetamide
CID 43363271
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate (CID 83211737) is 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate is CC(NCCOC(N)=O)C1(C)CC1.
What is the InChIKey of 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate?
The InChIKey is SOVFZHTXDNINIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(2)3-4-9)11-5-6-13-8(10)12/h7,11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate?
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83211737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).