2-methyl-N-prop-2-ynylpentanamide

C9H15NO — CID 60707067

IUPAC2-methyl-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)C(C)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)9(11)10-7-5-2/h2,8H,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNCDLBFKHAZDTPW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-N-prop-2-ynylpentanamide

2-methyl-N-prop-2-ynylpentanamide (PubChem CID 60707067) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpentanamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpentanamide
PubChem CID60707067
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)C(C)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)9(11)10-7-5-2/h2,8H,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNCDLBFKHAZDTPW-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
2,4-dimethyl-N'-prop-2-ynylpentanediamide
CID 153419083
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
3-(2-methylpentanoylamino)pent-4-ynoic acid
CID 138583566
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
2-methyl-N-propan-2-ylpentanamide
CID 4628268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpentanamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpentanamide (CID 60707067) is 2-methyl-N-prop-2-ynylpentanamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpentanamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpentanamide is C#CCNC(=O)C(C)CCC.
What is the InChIKey of 2-methyl-N-prop-2-ynylpentanamide?
The InChIKey is NCDLBFKHAZDTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(3)9(11)10-7-5-2/h2,8H,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of 2-methyl-N-prop-2-ynylpentanamide?
2-methyl-N-prop-2-ynylpentanamide has a molecular weight of 153.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpentanamide is sourced from PubChem (CID 60707067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).