N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine

C23H40N2O — CID 7642436

IUPACN-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN[C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C23H40N2O/c1-6-25(7-2)16-11-15-24-20(3)18-23(21-12-9-8-10-13-21)14-17-26-22(4,5)19-23/h8-10,12-13,20,24H,6-7,11,14-19H2,1-5H3/t20-,23+/m1/s1
InChIKeyPNIFHKSWZZWSNA-OFNKIYASSA-N
MW360.59 g/mol
LogP4.61
Rot. Bonds10

About N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine

N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 7642436) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
PubChem CID7642436
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC NameN-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN[C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C23H40N2O/c1-6-25(7-2)16-11-15-24-20(3)18-23(21-12-9-8-10-13-21)14-17-26-22(4,5)19-23/h8-10,12-13,20,24H,6-7,11,14-19H2,1-5H3/t20-,23+/m1/s1
InChIKeyPNIFHKSWZZWSNA-OFNKIYASSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
CID 53387392
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
CID 7645497
1-[N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]anilino]butan-2-one
CID 23853063
[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7643369
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 110999694
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
CID 90653265
3-tert-butyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]aniline
CID 53387394
3-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 45197694

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine (CID 7642436) is N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCN[C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is PNIFHKSWZZWSNA-OFNKIYASSA-N. The full InChI is InChI=1S/C23H40N2O/c1-6-25(7-2)16-11-15-24-20(3)18-23(21-12-9-8-10-13-21)14-17-26-22(4,5)19-23/h8-10,12-13,20,24H,6-7,11,14-19H2,1-5H3/t20-,23+/m1/s1.
What are the key properties of N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine?
N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 360.59 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 7642436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).