1-hex-5-ynyl-2-methylguanidine

C8H15N3 — CID 103756733

IUPAC1-hex-5-ynyl-2-methylguanidine
SMILESC#CCCCCN/C(N)=N/C
InChIInChI=1S/C8H15N3/c1-3-4-5-6-7-11-8(9)10-2/h1H,4-7H2,2H3,(H3,9,10,11)
InChIKeyWQVUPIUFHYHYSO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.32
Rot. Bonds4

About 1-hex-5-ynyl-2-methylguanidine

1-hex-5-ynyl-2-methylguanidine (PubChem CID 103756733) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-hex-5-ynyl-2-methylguanidine.

Molecular Properties

Compound Name1-hex-5-ynyl-2-methylguanidine
PubChem CID103756733
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-hex-5-ynyl-2-methylguanidine
SMILESC#CCCCCN/C(N)=N/C
InChIInChI=1S/C8H15N3/c1-3-4-5-6-7-11-8(9)10-2/h1H,4-7H2,2H3,(H3,9,10,11)
InChIKeyWQVUPIUFHYHYSO-UHFFFAOYSA-N
XLogP0.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

1-butyl-2-methylguanidine;propane
CID 163254942
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
2-methyl-1-(7-phosphanylideneheptyl)guanidine
CID 123437912
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
1-hex-5-ynyl-3-methylurea
CID 103757181
methyl N-hex-5-ynylcarbamate
CID 103758218
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
2-amino-N-hex-5-ynylbutanamide
CID 103950447
1-[3-(azepan-1-yl)propyl]-2-methylguanidine
CID 110913648
oct-7-ynylcarbamic acid
CID 174966346

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynyl-2-methylguanidine?
The IUPAC name of 1-hex-5-ynyl-2-methylguanidine (CID 103756733) is 1-hex-5-ynyl-2-methylguanidine.
What is the SMILES notation for 1-hex-5-ynyl-2-methylguanidine?
The canonical SMILES for 1-hex-5-ynyl-2-methylguanidine is C#CCCCCN/C(N)=N/C.
What is the InChIKey of 1-hex-5-ynyl-2-methylguanidine?
The InChIKey is WQVUPIUFHYHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-6-7-11-8(9)10-2/h1H,4-7H2,2H3,(H3,9,10,11).
What are the key properties of 1-hex-5-ynyl-2-methylguanidine?
1-hex-5-ynyl-2-methylguanidine has a molecular weight of 153.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynyl-2-methylguanidine is sourced from PubChem (CID 103756733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).