N'-prop-2-ynylpropanimidamide

C6H10N2 — CID 54116821

IUPACN'-prop-2-ynylpropanimidamide
SMILESC#CC/N=C(/N)CC
InChIInChI=1S/C6H10N2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3,(H2,7,8)
InChIKeyKRXDTSHMJHTPQO-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.39
Rot. Bonds2

About N'-prop-2-ynylpropanimidamide

N'-prop-2-ynylpropanimidamide (PubChem CID 54116821) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-prop-2-ynylpropanimidamide.

Molecular Properties

Compound NameN'-prop-2-ynylpropanimidamide
PubChem CID54116821
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-prop-2-ynylpropanimidamide
SMILESC#CC/N=C(/N)CC
InChIInChI=1S/C6H10N2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3,(H2,7,8)
InChIKeyKRXDTSHMJHTPQO-UHFFFAOYSA-N
XLogP0.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N'-prop-2-ynylcarbamimidothioate
CID 86157299
N'-pentylpropanimidamide
CID 62047571
N'-hexylpropanimidamide
CID 62048653
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420
N'-(2-methoxy-2-methylpropyl)propanimidamide
CID 104766080
prop-2-ynyl N'-ethylcarbamimidothioate
CID 126993394
N'-benzylpropanimidamide
CID 45122449
N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
CID 63174026
ethane;N'-hydrazinylpropanimidamide
CID 142272507
N'-(3-methoxy-2-methylpropyl)propanimidamide
CID 63177797
1-[6-[6-[[amino-(prop-2-ynylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-ynylguanidine
CID 176517604
N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane
CID 178136818

Frequently Asked Questions

What is the IUPAC name of N'-prop-2-ynylpropanimidamide?
The IUPAC name of N'-prop-2-ynylpropanimidamide (CID 54116821) is N'-prop-2-ynylpropanimidamide.
What is the SMILES notation for N'-prop-2-ynylpropanimidamide?
The canonical SMILES for N'-prop-2-ynylpropanimidamide is C#CC/N=C(/N)CC.
What is the InChIKey of N'-prop-2-ynylpropanimidamide?
The InChIKey is KRXDTSHMJHTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3,(H2,7,8).
What are the key properties of N'-prop-2-ynylpropanimidamide?
N'-prop-2-ynylpropanimidamide has a molecular weight of 110.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-ynylpropanimidamide is sourced from PubChem (CID 54116821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).