1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine

C9H20N4 — CID 104882252

IUPAC1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
SMILESCCC(CC1CC1)N/C(=N/C)NN
InChIInChI=1S/C9H20N4/c1-3-8(6-7-4-5-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyPWAUHEPKTYTNLJ-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.60
Rot. Bonds4

About 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine

1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine (PubChem CID 104882252) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
PubChem CID104882252
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
SMILESCCC(CC1CC1)N/C(=N/C)NN
InChIInChI=1S/C9H20N4/c1-3-8(6-7-4-5-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyPWAUHEPKTYTNLJ-UHFFFAOYSA-N
XLogP0.60
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
CID 104882850
1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
CID 104884261
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77014685
3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
CID 79461153
2-(1-aminocyclobutyl)-N-(1-cyclopropylbutan-2-yl)acetamide
CID 79853622
1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
CID 115624400
1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
CID 104884009
1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 104881996
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine (CID 104882252) is 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine is CCC(CC1CC1)N/C(=N/C)NN.
What is the InChIKey of 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine?
The InChIKey is PWAUHEPKTYTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-8(6-7-4-5-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine?
1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine is sourced from PubChem (CID 104882252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).