2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine

C11H21N3 — CID 62363679

IUPAC2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3/c1-8(2)14(7-9-3-4-9)11(12)13-10-5-6-10/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBJRWEARFVKRLPW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.58
Rot. Bonds4

About 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine

2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine (PubChem CID 62363679) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
PubChem CID62363679
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3/c1-8(2)14(7-9-3-4-9)11(12)13-10-5-6-10/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBJRWEARFVKRLPW-UHFFFAOYSA-N
XLogP1.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine (CID 62363679) is 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine is CC(C)N(CC1CC1)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The InChIKey is BJRWEARFVKRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)14(7-9-3-4-9)11(12)13-10-5-6-10/h8-10H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62363679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).