1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C20H38N4 — CID 111774940

IUPAC1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCC/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C20H38N4/c1-4-21-20(22-17-10-12-24(13-11-17)15(2)3)23-19-14-18(19)16-8-6-5-7-9-16/h15-19H,4-14H2,1-3H3,(H2,21,22,23)
InChIKeyPKPBDPRJOWAWMA-UHFFFAOYSA-N
MW334.55 g/mol
LogP3.38
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine

1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111774940) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111774940
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCC/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C20H38N4/c1-4-21-20(22-17-10-12-24(13-11-17)15(2)3)23-19-14-18(19)16-8-6-5-7-9-16/h15-19H,4-14H2,1-3H3,(H2,21,22,23)
InChIKeyPKPBDPRJOWAWMA-UHFFFAOYSA-N
XLogP3.38
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 53.38
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-cyclopropyl-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318195
N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
CID 111770684
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111756599
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111773693
2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318287
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830404
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318972

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111774940) is 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine is CC/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is PKPBDPRJOWAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4/c1-4-21-20(22-17-10-12-24(13-11-17)15(2)3)23-19-14-18(19)16-8-6-5-7-9-16/h15-19H,4-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 334.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111774940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).