2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine

C10H21N3 — CID 62361434

IUPAC2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(N)=N/C1CC1
InChIInChI=1S/C10H21N3/c1-4-8(2)7-13(3)10(11)12-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyLTCMWVKCNNZQNJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine

2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine (PubChem CID 62361434) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine
PubChem CID62361434
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(N)=N/C1CC1
InChIInChI=1S/C10H21N3/c1-4-8(2)7-13(3)10(11)12-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyLTCMWVKCNNZQNJ-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.44
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-methyl-1-(2-methylbutyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine (CID 62361434) is 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine is CCC(C)CN(C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine?
The InChIKey is LTCMWVKCNNZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-8(2)7-13(3)10(11)12-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine?
2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(2-methylbutyl)guanidine is sourced from PubChem (CID 62361434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).