1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine

C15H32N4 — CID 111891399

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCC(C)N(C)C1CC1
InChIInChI=1S/C15H32N4/c1-6-13(7-2)11-18-15(16-4)17-10-12(3)19(5)14-8-9-14/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyPVDSCKRPDCRERX-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.07
Rot. Bonds8

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine (PubChem CID 111891399) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine
PubChem CID111891399
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCC(C)N(C)C1CC1
InChIInChI=1S/C15H32N4/c1-6-13(7-2)11-18-15(16-4)17-10-12(3)19(5)14-8-9-14/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyPVDSCKRPDCRERX-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228600
1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110945531
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971471
1-[2-(diethylamino)propyl]-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111890678
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406816
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652260
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319313
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109428423
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673715
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614290
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194627
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679477

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine (CID 111891399) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine is CCC(CC)CN/C(=N\C)NCC(C)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine?
The InChIKey is PVDSCKRPDCRERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-6-13(7-2)11-18-15(16-4)17-10-12(3)19(5)14-8-9-14/h12-14H,6-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine has a molecular weight of 268.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine is sourced from PubChem (CID 111891399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).