2-amino-1-(cyclopentylmethyl)-1-methylguanidine

C8H18N4 — CID 77058534

IUPAC2-amino-1-(cyclopentylmethyl)-1-methylguanidine
SMILESCN(CC1CCCC1)C(N)=NN
InChIInChI=1S/C8H18N4/c1-12(8(9)11-10)6-7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyQSYTYXQQAJPOKH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-1-(cyclopentylmethyl)-1-methylguanidine

2-amino-1-(cyclopentylmethyl)-1-methylguanidine (PubChem CID 77058534) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-1-(cyclopentylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name2-amino-1-(cyclopentylmethyl)-1-methylguanidine
PubChem CID77058534
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-amino-1-(cyclopentylmethyl)-1-methylguanidine
SMILESCN(CC1CCCC1)C(N)=NN
InChIInChI=1S/C8H18N4/c1-12(8(9)11-10)6-7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyQSYTYXQQAJPOKH-UHFFFAOYSA-N
XLogP0.30
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclopentylmethyl)-1-methylguanidine?
The IUPAC name of 2-amino-1-(cyclopentylmethyl)-1-methylguanidine (CID 77058534) is 2-amino-1-(cyclopentylmethyl)-1-methylguanidine.
What is the SMILES notation for 2-amino-1-(cyclopentylmethyl)-1-methylguanidine?
The canonical SMILES for 2-amino-1-(cyclopentylmethyl)-1-methylguanidine is CN(CC1CCCC1)C(N)=NN.
What is the InChIKey of 2-amino-1-(cyclopentylmethyl)-1-methylguanidine?
The InChIKey is QSYTYXQQAJPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-12(8(9)11-10)6-7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H2,9,11).
What are the key properties of 2-amino-1-(cyclopentylmethyl)-1-methylguanidine?
2-amino-1-(cyclopentylmethyl)-1-methylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclopentylmethyl)-1-methylguanidine is sourced from PubChem (CID 77058534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).