2-(2-aminoethylamino)-N-prop-2-ynylpropanamide

C8H15N3O — CID 62140900

IUPAC2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN
InChIInChI=1S/C8H15N3O/c1-3-5-11-8(12)7(2)10-6-4-9/h1,7,10H,4-6,9H2,2H3,(H,11,12)
InChIKeyJVUYXVUZXITSKT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.33
Rot. Bonds5

About 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide

2-(2-aminoethylamino)-N-prop-2-ynylpropanamide (PubChem CID 62140900) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
PubChem CID62140900
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN
InChIInChI=1S/C8H15N3O/c1-3-5-11-8(12)7(2)10-6-4-9/h1,7,10H,4-6,9H2,2H3,(H,11,12)
InChIKeyJVUYXVUZXITSKT-UHFFFAOYSA-N
XLogP-1.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
CID 62342840
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide (CID 62140900) is 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide?
The InChIKey is JVUYXVUZXITSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-11-8(12)7(2)10-6-4-9/h1,7,10H,4-6,9H2,2H3,(H,11,12).
What are the key properties of 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide?
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide has a molecular weight of 169.23 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62140900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).