1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

C17H29N5 — CID 110970487

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCN(C(C)C)C1CC1
InChIInChI=1S/C17H29N5/c1-4-18-17(21-13-15-7-5-6-10-19-15)20-11-12-22(14(2)3)16-8-9-16/h5-7,10,14,16H,4,8-9,11-13H2,1-3H3,(H2,18,20,21)
InChIKeyMZZUVDXMEYDYMC-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.01
Rot. Bonds8

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 110970487) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID110970487
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCN(C(C)C)C1CC1
InChIInChI=1S/C17H29N5/c1-4-18-17(21-13-15-7-5-6-10-19-15)20-11-12-22(14(2)3)16-8-9-16/h5-7,10,14,16H,4,8-9,11-13H2,1-3H3,(H2,18,20,21)
InChIKeyMZZUVDXMEYDYMC-UHFFFAOYSA-N
XLogP2.01
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851248
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217242
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-(3-cyclohexylpropyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968990
1-ethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547410
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-[(2,5-difluorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111901956
3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110970973
1-(3-cyclopentyl-3-ethoxypropyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111966597
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-3-[4-(N-methylanilino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110967658

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (CID 110970487) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is MZZUVDXMEYDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-4-18-17(21-13-15-7-5-6-10-19-15)20-11-12-22(14(2)3)16-8-9-16/h5-7,10,14,16H,4,8-9,11-13H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 303.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110970487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).