N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine

C18H31N3 — CID 43665443

IUPACN,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1CN(C)C(C)CC1NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H31N3/c1-14-13-21(5)15(2)11-17(14)19-12-18(20(3)4)16-9-7-6-8-10-16/h6-10,14-15,17-19H,11-13H2,1-5H3
InChIKeyWFTRNIMWEPNYCE-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.61
Rot. Bonds5

About N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 43665443) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID43665443
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1CN(C)C(C)CC1NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H31N3/c1-14-13-21(5)15(2)11-17(14)19-12-18(20(3)4)16-9-7-6-8-10-16/h6-10,14-15,17-19H,11-13H2,1-5H3
InChIKeyWFTRNIMWEPNYCE-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 64774136
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665501
(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 93258463
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2,5-trimethylpiperidin-4-amine
CID 81300273
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine (CID 43665443) is N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine is CC1CN(C)C(C)CC1NCC(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is WFTRNIMWEPNYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-13-21(5)15(2)11-17(14)19-12-18(20(3)4)16-9-7-6-8-10-16/h6-10,14-15,17-19H,11-13H2,1-5H3.
What are the key properties of N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43665443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).