1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine

C14H28N4 — CID 111869822

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC1)NCCN(CC)C1CC1
InChIInChI=1S/C14H28N4/c1-3-15-14(17-11-12-5-6-12)16-9-10-18(4-2)13-7-8-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyZCMYTPCIHOROEB-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.44
Rot. Bonds8

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine (PubChem CID 111869822) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine
PubChem CID111869822
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC1)NCCN(CC)C1CC1
InChIInChI=1S/C14H28N4/c1-3-15-14(17-11-12-5-6-12)16-9-10-18(4-2)13-7-8-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyZCMYTPCIHOROEB-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.44
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-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111247659
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610322
2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111239528
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928959
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylguanidine;hydroiodide
CID 111949308
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111360467
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
2-[(2-chlorophenyl)methyl]-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111175288
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111619988
2-(cyclopropylmethyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344940

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine (CID 111869822) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine is CCN/C(=N\CC1CC1)NCCN(CC)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine?
The InChIKey is ZCMYTPCIHOROEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-15-14(17-11-12-5-6-12)16-9-10-18(4-2)13-7-8-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine has a molecular weight of 252.41 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine is sourced from PubChem (CID 111869822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).