methanamine;N-methylpent-4-ynamide

C8H19N3O — CID 160899629

IUPACmethanamine;N-methylpent-4-ynamide
SMILESC#CCCC(=O)NC.CN.CN
InChIInChI=1S/C6H9NO.2CH5N/c1-3-4-5-6(8)7-2;2*1-2/h1H,4-5H2,2H3,(H,7,8);2*2H2,1H3
InChIKeySPIFXVKUWFQVTA-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.70
Rot. Bonds2

About methanamine;N-methylpent-4-ynamide

methanamine;N-methylpent-4-ynamide (PubChem CID 160899629) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is methanamine;N-methylpent-4-ynamide.

Molecular Properties

Compound Namemethanamine;N-methylpent-4-ynamide
PubChem CID160899629
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Namemethanamine;N-methylpent-4-ynamide
SMILESC#CCCC(=O)NC.CN.CN
InChIInChI=1S/C6H9NO.2CH5N/c1-3-4-5-6(8)7-2;2*1-2/h1H,4-5H2,2H3,(H,7,8);2*2H2,1H3
InChIKeySPIFXVKUWFQVTA-UHFFFAOYSA-N
XLogP-0.70
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.70
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

N-methyloct-7-ynamide
CID 175792048
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
N-methyloct-4-en-7-ynamide
CID 175936352
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
N-(1-methylcyclopentyl)pent-4-ynamide
CID 130688553
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
methyl (2S)-4-methyl-2-(pent-4-ynoylamino)pentanoate
CID 101422018
N,N'-dimethylheptanediamide
CID 15166696
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one
CID 165471471

Frequently Asked Questions

What is the IUPAC name of methanamine;N-methylpent-4-ynamide?
The IUPAC name of methanamine;N-methylpent-4-ynamide (CID 160899629) is methanamine;N-methylpent-4-ynamide.
What is the SMILES notation for methanamine;N-methylpent-4-ynamide?
The canonical SMILES for methanamine;N-methylpent-4-ynamide is C#CCCC(=O)NC.CN.CN.
What is the InChIKey of methanamine;N-methylpent-4-ynamide?
The InChIKey is SPIFXVKUWFQVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.2CH5N/c1-3-4-5-6(8)7-2;2*1-2/h1H,4-5H2,2H3,(H,7,8);2*2H2,1H3.
What are the key properties of methanamine;N-methylpent-4-ynamide?
methanamine;N-methylpent-4-ynamide has a molecular weight of 173.26 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-methylpent-4-ynamide is sourced from PubChem (CID 160899629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).