3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide

C17H29N3 — CID 129261178

IUPAC3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide
SMILES[H]/N=C(/CCc1ccccc1)N(CCC)CCNC(C)C
InChIInChI=1S/C17H29N3/c1-4-13-20(14-12-19-15(2)3)17(18)11-10-16-8-6-5-7-9-16/h5-9,15,18-19H,4,10-14H2,1-3H3/b18-17-
InChIKeyLKGFTAHYMAUSPG-ZCXUNETKSA-N
MW275.44 g/mol
LogP3.31
Rot. Bonds9

About 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide

3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide (PubChem CID 129261178) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide
PubChem CID129261178
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide
SMILES[H]/N=C(/CCc1ccccc1)N(CCC)CCNC(C)C
InChIInChI=1S/C17H29N3/c1-4-13-20(14-12-19-15(2)3)17(18)11-10-16-8-6-5-7-9-16/h5-9,15,18-19H,4,10-14H2,1-3H3/b18-17-
InChIKeyLKGFTAHYMAUSPG-ZCXUNETKSA-N
XLogP3.31
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.31
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-benzyl-N-ethylbutanimidamide
CID 63175572
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
N-benzyl-2-methyl-N-propylpropanimidamide
CID 130949463
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide
CID 143410439
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide?
The IUPAC name of 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide (CID 129261178) is 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide.
What is the SMILES notation for 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide?
The canonical SMILES for 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide is [H]/N=C(/CCc1ccccc1)N(CCC)CCNC(C)C.
What is the InChIKey of 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide?
The InChIKey is LKGFTAHYMAUSPG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-13-20(14-12-19-15(2)3)17(18)11-10-16-8-6-5-7-9-16/h5-9,15,18-19H,4,10-14H2,1-3H3/b18-17-.
What are the key properties of 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide?
3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide has a molecular weight of 275.44 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide is sourced from PubChem (CID 129261178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).