1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine

C16H28N4 — CID 111195830

IUPAC1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCCC(C)N/C(=N/Cc1ccccn1)NCC
InChIInChI=1S/C16H28N4/c1-4-6-7-10-14(3)20-16(17-5-2)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20)
InChIKeyBKELFODHPRJENK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.11
Rot. Bonds8

About 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine

1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111195830) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111195830
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCCC(C)N/C(=N/Cc1ccccn1)NCC
InChIInChI=1S/C16H28N4/c1-4-6-7-10-14(3)20-16(17-5-2)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20)
InChIKeyBKELFODHPRJENK-UHFFFAOYSA-N
XLogP3.11
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111195844
1-ethyl-3-heptan-2-yl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111194748
2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine
CID 111212533
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-heptan-2-yl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111194747
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110970973
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494229
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
CID 111195887
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970221
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine (CID 111195830) is 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine is CCCCCC(C)N/C(=N/Cc1ccccn1)NCC.
What is the InChIKey of 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is BKELFODHPRJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-6-7-10-14(3)20-16(17-5-2)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20).
What are the key properties of 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 276.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111195830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).