1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine

C15H28N4 — CID 119149200

IUPAC1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C15H28N4/c1-5-12-17-14(16-2)18-13-15(19(3)4)10-8-6-7-9-11-15/h1H,6-13H2,2-4H3,(H2,16,17,18)
InChIKeyNAEFGSAMMIDWCR-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds4

About 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine

1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine (PubChem CID 119149200) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine
PubChem CID119149200
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C15H28N4/c1-5-12-17-14(16-2)18-13-15(19(3)4)10-8-6-7-9-11-15/h1H,6-13H2,2-4H3,(H2,16,17,18)
InChIKeyNAEFGSAMMIDWCR-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N-dimethyl-1-[[(N'-methyl-N-prop-2-ynylcarbamimidoyl)amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570750
1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 119130023
1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130004
1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 119150879
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151160
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119148996
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782721
1-cyclohexyl-3-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111779186
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111787461
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608023
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 111638794
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine (CID 119149200) is 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is NAEFGSAMMIDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-12-17-14(16-2)18-13-15(19(3)4)10-8-6-7-9-11-15/h1H,6-13H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine?
1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 264.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 119149200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).