1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C10H22N4 — CID 62635491

IUPAC1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C10H22N4/c1-8(2)14(3)7-6-12-10(11)13-9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyYYWODUYEFNKTCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds5

About 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 62635491) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID62635491
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C10H22N4/c1-8(2)14(3)7-6-12-10(11)13-9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyYYWODUYEFNKTCK-UHFFFAOYSA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 62635491) is 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is CC(C)N(C)CC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is YYWODUYEFNKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)14(3)7-6-12-10(11)13-9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 62635491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).