2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine

C12H26N4 — CID 63698851

IUPAC2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine
SMILESCN(C)CCCN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H26N4/c1-15(2)9-6-10-16(3)12(13)14-11-7-4-5-8-11/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyPUKCBCCZTYMGIK-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.13
Rot. Bonds5

About 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine

2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine (PubChem CID 63698851) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine
PubChem CID63698851
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine
SMILESCN(C)CCCN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H26N4/c1-15(2)9-6-10-16(3)12(13)14-11-7-4-5-8-11/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyPUKCBCCZTYMGIK-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine?
The IUPAC name of 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine (CID 63698851) is 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine?
The canonical SMILES for 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine is CN(C)CCCN(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine?
The InChIKey is PUKCBCCZTYMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-15(2)9-6-10-16(3)12(13)14-11-7-4-5-8-11/h11H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine?
2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-methylguanidine is sourced from PubChem (CID 63698851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).