N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide

C11H24N2 — CID 63841288

IUPACN'-(3-ethylpentan-2-yl)-2-methylpropanimidamide
SMILESCCC(CC)C(C)/N=C(/N)C(C)C
InChIInChI=1S/C11H24N2/c1-6-10(7-2)9(5)13-11(12)8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13)
InChIKeyBWRSVARGGIGQET-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.82
Rot. Bonds5

About N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide

N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide (PubChem CID 63841288) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(3-ethylpentan-2-yl)-2-methylpropanimidamide
PubChem CID63841288
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(3-ethylpentan-2-yl)-2-methylpropanimidamide
SMILESCCC(CC)C(C)/N=C(/N)C(C)C
InChIInChI=1S/C11H24N2/c1-6-10(7-2)9(5)13-11(12)8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13)
InChIKeyBWRSVARGGIGQET-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.82
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'}

Analyze N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
CID 171370188
CID 171370188
N'-amino-2-methylpropanimidamide;dihydrochloride
CID 167730390
CID 174036232
CID 174036232
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
2-(2-hydroxypentan-3-yl)guanidine
CID 131162693
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
N-(1-amino-2-methylpropylidene)-2-ethylhexanamide
CID 22267337
hydroxylamine;2-methylbutane
CID 175063986
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide?
The IUPAC name of N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide (CID 63841288) is N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide?
The canonical SMILES for N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide is CCC(CC)C(C)/N=C(/N)C(C)C.
What is the InChIKey of N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide?
The InChIKey is BWRSVARGGIGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-10(7-2)9(5)13-11(12)8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide?
N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide is sourced from PubChem (CID 63841288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).