(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide

C20H35N3 — CID 92833235

IUPAC(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILESCCN(CC)CCC/N=C(\N)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H35N3/c1-6-23(7-2)14-8-13-22-20(21)17(5)19-11-9-18(10-12-19)15-16(3)4/h9-12,16-17H,6-8,13-15H2,1-5H3,(H2,21,22)/t17-/m1/s1
InChIKeyPGOMMNOHXDTPOT-QGZVFWFLSA-N
MW317.52 g/mol
LogP4.08
Rot. Bonds10

About (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide

(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide (PubChem CID 92833235) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide.

Molecular Properties

Compound Name(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide
PubChem CID92833235
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILESCCN(CC)CCC/N=C(\N)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H35N3/c1-6-23(7-2)14-8-13-22-20(21)17(5)19-11-9-18(10-12-19)15-16(3)4/h9-12,16-17H,6-8,13-15H2,1-5H3,(H2,21,22)/t17-/m1/s1
InChIKeyPGOMMNOHXDTPOT-QGZVFWFLSA-N
XLogP4.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
CID 6984096
(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819
(2S)-N'-methyl-2-[4-(2-methylpropyl)phenyl]propanimidamide;hydrochloride
CID 67369642
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
(2R)-N-[3-(diaminomethylideneamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 121452328
[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
CID 6340999
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The IUPAC name of (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide (CID 92833235) is (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide.
What is the SMILES notation for (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The canonical SMILES for (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide is CCN(CC)CCC/N=C(\N)[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The InChIKey is PGOMMNOHXDTPOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H35N3/c1-6-23(7-2)14-8-13-22-20(21)17(5)19-11-9-18(10-12-19)15-16(3)4/h9-12,16-17H,6-8,13-15H2,1-5H3,(H2,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide?
(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide has a molecular weight of 317.52 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide is sourced from PubChem (CID 92833235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).