N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine

C22H31N — CID 57175425

IUPACN,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
SMILESCCN(CC)CCC(C)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N/c1-4-23(5-2)19-18-22(3,21-14-10-7-11-15-21)17-16-20-12-8-6-9-13-20/h6-15H,4-5,16-19H2,1-3H3
InChIKeyZQACLKVFTVADBA-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.31
Rot. Bonds9

About N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine

N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine (PubChem CID 57175425) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
PubChem CID57175425
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
SMILESCCN(CC)CCC(C)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N/c1-4-23(5-2)19-18-22(3,21-14-10-7-11-15-21)17-16-20-12-8-6-9-13-20/h6-15H,4-5,16-19H2,1-3H3
InChIKeyZQACLKVFTVADBA-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
5-methyl-5,7-diphenylheptanoic acid
CID 148740605
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N,N',2-tetramethyl-2-phenyl-N'-(2-phenylethyl)pentane-1,5-diamine
CID 70495377
ethane;3-methylpentan-3-ylbenzene
CID 90745317
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid
CID 22767225

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine?
The IUPAC name of N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine (CID 57175425) is N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine?
The canonical SMILES for N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine is CCN(CC)CCC(C)(CCc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine?
The InChIKey is ZQACLKVFTVADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-4-23(5-2)19-18-22(3,21-14-10-7-11-15-21)17-16-20-12-8-6-9-13-20/h6-15H,4-5,16-19H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine?
N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine is sourced from PubChem (CID 57175425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).