3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide

C12H27N3 — CID 79484293

IUPAC3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)C(CC)CC
InChIInChI=1S/C12H27N3/c1-5-11(6-2)15(9-10(3)4)8-7-12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyXYJDNCNDSOFGPU-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.46
Rot. Bonds8

About 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide

3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide (PubChem CID 79484293) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
PubChem CID79484293
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)C(CC)CC
InChIInChI=1S/C12H27N3/c1-5-11(6-2)15(9-10(3)4)8-7-12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyXYJDNCNDSOFGPU-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.46
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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Related Compounds

N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
1-(3-amino-3-iminopropyl)-3-ethyl-3-methyl-1-propan-2-ylurea
CID 79162505
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide?
The IUPAC name of 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide (CID 79484293) is 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide?
The canonical SMILES for 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC(C)C)C(CC)CC.
What is the InChIKey of 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide?
The InChIKey is XYJDNCNDSOFGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-11(6-2)15(9-10(3)4)8-7-12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide?
3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide is sourced from PubChem (CID 79484293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).