1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine

C15H32N4 — CID 111124097

IUPAC1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(C/N=C(\NCC)NC(C)C)CC1
InChIInChI=1S/C15H32N4/c1-5-9-19-10-7-14(8-11-19)12-17-15(16-6-2)18-13(3)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFCYRPFFQTNVJQH-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.07
Rot. Bonds6

About 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine

1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine (PubChem CID 111124097) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
PubChem CID111124097
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
SMILESCCCN1CCC(C/N=C(\NCC)NC(C)C)CC1
InChIInChI=1S/C15H32N4/c1-5-9-19-10-7-14(8-11-19)12-17-15(16-6-2)18-13(3)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFCYRPFFQTNVJQH-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.07
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

1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 110917818
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-ylguanidine
CID 111789048
1-ethyl-3-(3-methylbutan-2-yl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111000641
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111234888
1-ethyl-3-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111127316
1-ethyl-3-hexyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111160757
1-ethyl-3-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111127315
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111190257
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111387565
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111188083
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111401796

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine (CID 111124097) is 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine is CCCN1CCC(C/N=C(\NCC)NC(C)C)CC1.
What is the InChIKey of 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
The InChIKey is FCYRPFFQTNVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-5-9-19-10-7-14(8-11-19)12-17-15(16-6-2)18-13(3)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine?
1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 111124097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).