2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

C11H21N3O — CID 103247876

IUPAC2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCC1=CCCCC1
InChIInChI=1S/C11H21N3O/c12-10(11(13)15)8-14-7-6-9-4-2-1-3-5-9/h4,10,14H,1-3,5-8,12H2,(H2,13,15)
InChIKeyNGQIRSNATADCJB-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.28
Rot. Bonds6

About 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (PubChem CID 103247876) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
PubChem CID103247876
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCC1=CCCCC1
InChIInChI=1S/C11H21N3O/c12-10(11(13)15)8-14-7-6-9-4-2-1-3-5-9/h4,10,14H,1-3,5-8,12H2,(H2,13,15)
InChIKeyNGQIRSNATADCJB-UHFFFAOYSA-N
XLogP0.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
N'-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
tert-butyl N-[2-[2-(cyclohexen-1-yl)ethylamino]ethyl]carbamate
CID 112688701
4-(cyclohexen-1-yl)butanamide
CID 165359181

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (CID 103247876) is 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is NC(=O)C(N)CNCCC1=CCCCC1.
What is the InChIKey of 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The InChIKey is NGQIRSNATADCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-10(11(13)15)8-14-7-6-9-4-2-1-3-5-9/h4,10,14H,1-3,5-8,12H2,(H2,13,15).
What are the key properties of 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide has a molecular weight of 211.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is sourced from PubChem (CID 103247876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).