N-benzyl-2-methyl-N-propylpropanimidamide

C14H22N2 — CID 130949463

IUPACN-benzyl-2-methyl-N-propylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CCC)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-4-10-16(14(15)12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/b15-14+
InChIKeyIRMYNBOTLNJXBG-CCEZHUSRSA-N
MW218.34 g/mol
LogP3.53
Rot. Bonds5

About N-benzyl-2-methyl-N-propylpropanimidamide

N-benzyl-2-methyl-N-propylpropanimidamide (PubChem CID 130949463) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-propylpropanimidamide
PubChem CID130949463
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-2-methyl-N-propylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CCC)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-4-10-16(14(15)12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/b15-14+
InChIKeyIRMYNBOTLNJXBG-CCEZHUSRSA-N
XLogP3.53
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.53
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'}

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Related Compounds

N-benzyl-N-ethyl-2-methylpropanimidamide
CID 63175573
benzyl(propyl)carbamodithioic acid
CID 154265529
N-benzyl-N-ethylbutanimidamide
CID 63175572
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
1,1-dibenzylguanidine
CID 9487
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N,N-dibenzyl-2-(methylamino)prop-2-enimidamide
CID 146643292
3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide
CID 129261178
3-[benzyl(propyl)amino]butan-2-ol
CID 131042967
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-propylpropanimidamide?
The IUPAC name of N-benzyl-2-methyl-N-propylpropanimidamide (CID 130949463) is N-benzyl-2-methyl-N-propylpropanimidamide.
What is the SMILES notation for N-benzyl-2-methyl-N-propylpropanimidamide?
The canonical SMILES for N-benzyl-2-methyl-N-propylpropanimidamide is [H]/N=C(\C(C)C)N(CCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-N-propylpropanimidamide?
The InChIKey is IRMYNBOTLNJXBG-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-10-16(14(15)12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/b15-14+.
What are the key properties of N-benzyl-2-methyl-N-propylpropanimidamide?
N-benzyl-2-methyl-N-propylpropanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-propylpropanimidamide is sourced from PubChem (CID 130949463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).