1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine

C14H27N3 — CID 122098987

IUPAC1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC1CCCC1C1CC1
InChIInChI=1S/C14H27N3/c1-14(2,3)17-13(15)16-9-11-5-4-6-12(11)10-7-8-10/h10-12H,4-9H2,1-3H3,(H3,15,16,17)
InChIKeyCPCZTQHTLDCZDW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds3

About 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine

1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine (PubChem CID 122098987) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
PubChem CID122098987
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC1CCCC1C1CC1
InChIInChI=1S/C14H27N3/c1-14(2,3)17-13(15)16-9-11-5-4-6-12(11)10-7-8-10/h10-12H,4-9H2,1-3H3,(H3,15,16,17)
InChIKeyCPCZTQHTLDCZDW-UHFFFAOYSA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine (CID 122098987) is 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine is CC(C)(C)N/C(N)=N/CC1CCCC1C1CC1.
What is the InChIKey of 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine?
The InChIKey is CPCZTQHTLDCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2,3)17-13(15)16-9-11-5-4-6-12(11)10-7-8-10/h10-12H,4-9H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine?
1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 122098987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).