2-methyl-N'-(3-phenylbutyl)propanimidamide

C14H22N2 — CID 63181443

IUPAC2-methyl-N'-(3-phenylbutyl)propanimidamide
SMILESCC(C)/C(N)=N\CCC(C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(2)14(15)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,15,16)
InChIKeyJIYFMPNXRXYMBK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.19
Rot. Bonds5

About 2-methyl-N'-(3-phenylbutyl)propanimidamide

2-methyl-N'-(3-phenylbutyl)propanimidamide (PubChem CID 63181443) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-N'-(3-phenylbutyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(3-phenylbutyl)propanimidamide
PubChem CID63181443
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N'-(3-phenylbutyl)propanimidamide
SMILESCC(C)/C(N)=N\CCC(C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(2)14(15)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,15,16)
InChIKeyJIYFMPNXRXYMBK-UHFFFAOYSA-N
XLogP3.19
TPSA38.38 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 ≤ 53.19
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

2-methyl-5-phenylhexan-2-ol
CID 12716609
2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
CID 55159960
pentan-2-ylbenzene
CID 17627
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
4-chlorobutan-2-ylbenzene
CID 570466
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
[(3R)-3-phenylbutyl] acetate
CID 12598598
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2,14-diphenylpentadecan-8-ol
CID 71175182
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-phenylbutyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(3-phenylbutyl)propanimidamide (CID 63181443) is 2-methyl-N'-(3-phenylbutyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(3-phenylbutyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(3-phenylbutyl)propanimidamide is CC(C)/C(N)=N\CCC(C)c1ccccc1.
What is the InChIKey of 2-methyl-N'-(3-phenylbutyl)propanimidamide?
The InChIKey is JIYFMPNXRXYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)14(15)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,15,16).
What are the key properties of 2-methyl-N'-(3-phenylbutyl)propanimidamide?
2-methyl-N'-(3-phenylbutyl)propanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-phenylbutyl)propanimidamide is sourced from PubChem (CID 63181443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).