2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine

C10H23N3 — CID 62361572

IUPAC2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
SMILESCCC(/N=C(\N)NC(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6-9(7(2)3)13-10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H3,11,12,13)
InChIKeyTYEAIEDSSSGQAC-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine

2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine (PubChem CID 62361572) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
PubChem CID62361572
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
SMILESCCC(/N=C(\N)NC(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6-9(7(2)3)13-10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H3,11,12,13)
InChIKeyTYEAIEDSSSGQAC-UHFFFAOYSA-N
XLogP1.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
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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Related Compounds

1-propan-2-yl-2-(1-sulfanylpropyl)guanidine
CID 21150356
ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine
CID 83177574
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
CID 63176981
1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
CID 79249185
2-nonyl-1-propan-2-ylguanidine
CID 111034727
2,6-dimethylheptane;2,5-dimethylhexane;1,2-di(propan-2-yl)guanidine;1,3-di(propan-2-yl)urea
CID 159966773
2-(2-hydroxypentan-3-yl)guanidine
CID 131162693
N'-butan-2-yl-N-propan-2-ylethanimidamide
CID 86038990
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
CID 62362636

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine (CID 62361572) is 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine is CCC(/N=C(\N)NC(C)C)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine?
The InChIKey is TYEAIEDSSSGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-9(7(2)3)13-10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H3,11,12,13).
What are the key properties of 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine?
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62361572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).