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

C16H32N4 — CID 111130336

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C16H32N4/c1-3-4-5-10-18-16(17-2)19-11-12-20(15-8-9-15)13-14-6-7-14/h14-15H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyQZYOALYEECMBRX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.22
Rot. Bonds10

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

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine (PubChem CID 111130336) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine
PubChem CID111130336
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C16H32N4/c1-3-4-5-10-18-16(17-2)19-11-12-20(15-8-9-15)13-14-6-7-14/h14-15H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyQZYOALYEECMBRX-UHFFFAOYSA-N
XLogP2.22
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.22
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'}

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Related Compounds

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405274
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387186
1-(3-cyclohexyloxypropyl)-3-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111397437
1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
CID 111149772
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962772
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370668
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006245
4-[[[N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111872809
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215654
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970488
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine (CID 111130336) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine is CCCCCN/C(=N\C)NCCN(CC1CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine?
The InChIKey is QZYOALYEECMBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-3-4-5-10-18-16(17-2)19-11-12-20(15-8-9-15)13-14-6-7-14/h14-15H,3-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine has a molecular weight of 280.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine is sourced from PubChem (CID 111130336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).