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

C9H19N3 — CID 62358414

IUPAC1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine
SMILESC/N=C(\N)N(CC1CC1)C(C)C
InChIInChI=1S/C9H19N3/c1-7(2)12(9(10)11-3)6-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyITMWESYCQFMJEE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.05
Rot. Bonds3

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

1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine (PubChem CID 62358414) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine
PubChem CID62358414
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine
SMILESC/N=C(\N)N(CC1CC1)C(C)C
InChIInChI=1S/C9H19N3/c1-7(2)12(9(10)11-3)6-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyITMWESYCQFMJEE-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.05
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 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine (CID 62358414) is 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine is C/N=C(\N)N(CC1CC1)C(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine?
The InChIKey is ITMWESYCQFMJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)12(9(10)11-3)6-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine?
1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-1-propan-2-ylguanidine is sourced from PubChem (CID 62358414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).