4-amino-3-methyl-N-prop-2-ynylbutanamide

C8H14N2O — CID 81070639

IUPAC4-amino-3-methyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CC(C)CN
InChIInChI=1S/C8H14N2O/c1-3-4-10-8(11)5-7(2)6-9/h1,7H,4-6,9H2,2H3,(H,10,11)
InChIKeyKXPKQZAUADHVPQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.28
Rot. Bonds4

About 4-amino-3-methyl-N-prop-2-ynylbutanamide

4-amino-3-methyl-N-prop-2-ynylbutanamide (PubChem CID 81070639) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-amino-3-methyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-prop-2-ynylbutanamide
PubChem CID81070639
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-amino-3-methyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CC(C)CN
InChIInChI=1S/C8H14N2O/c1-3-4-10-8(11)5-7(2)6-9/h1,7H,4-6,9H2,2H3,(H,10,11)
InChIKeyKXPKQZAUADHVPQ-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
2-amino-N-prop-2-ynylacetamide;hydrochloride
CID 47002635
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
CID 115739206
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
4-amino-N-prop-2-ynylbutanamide
CID 24695167
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-prop-2-ynylbutanamide?
The IUPAC name of 4-amino-3-methyl-N-prop-2-ynylbutanamide (CID 81070639) is 4-amino-3-methyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-amino-3-methyl-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-amino-3-methyl-N-prop-2-ynylbutanamide is C#CCNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-N-prop-2-ynylbutanamide?
The InChIKey is KXPKQZAUADHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-10-8(11)5-7(2)6-9/h1,7H,4-6,9H2,2H3,(H,10,11).
What are the key properties of 4-amino-3-methyl-N-prop-2-ynylbutanamide?
4-amino-3-methyl-N-prop-2-ynylbutanamide has a molecular weight of 154.21 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 81070639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).