1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine

C14H30N4 — CID 111126777

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine
SMILESC/N=C(/NCCN1CC(C)CC(C)C1)NC(C)C
InChIInChI=1S/C14H30N4/c1-11(2)17-14(15-5)16-6-7-18-9-12(3)8-13(4)10-18/h11-13H,6-10H2,1-5H3,(H2,15,16,17)
InChIKeyUXYNCVYOMMFBTL-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine

1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine (PubChem CID 111126777) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine
PubChem CID111126777
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine
SMILESC/N=C(/NCCN1CC(C)CC(C)C1)NC(C)C
InChIInChI=1S/C14H30N4/c1-11(2)17-14(15-5)16-6-7-18-9-12(3)8-13(4)10-18/h11-13H,6-10H2,1-5H3,(H2,15,16,17)
InChIKeyUXYNCVYOMMFBTL-UHFFFAOYSA-N
XLogP1.54
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.54
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'}

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Related Compounds

1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine
CID 110943590
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111000754
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415394
1,2-dimethyl-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]guanidine
CID 124732350
1-[2-(2-butoxyethoxy)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111693321
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899133
1-(cyclopropylmethyl)-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methylguanidine
CID 111870571
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111899132
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000762
1-cyclopentyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110990160
2-methyl-1-(5-methylhexan-2-yl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111204089
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine (CID 111126777) is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine is C/N=C(/NCCN1CC(C)CC(C)C1)NC(C)C.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine?
The InChIKey is UXYNCVYOMMFBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-11(2)17-14(15-5)16-6-7-18-9-12(3)8-13(4)10-18/h11-13H,6-10H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine?
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine is sourced from PubChem (CID 111126777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).