N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine

C18H31N3 — CID 106820709

IUPACN'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-4-20(15-18(2,3)14-19)17-10-12-21(13-11-17)16-8-6-5-7-9-16/h5-9,17H,4,10-15,19H2,1-3H3
InChIKeyLNKWLOJCNCAKJV-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.96
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 106820709) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
PubChem CID106820709
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-4-20(15-18(2,3)14-19)17-10-12-21(13-11-17)16-8-6-5-7-9-16/h5-9,17H,4,10-15,19H2,1-3H3
InChIKeyLNKWLOJCNCAKJV-UHFFFAOYSA-N
XLogP2.96
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 24693500
4-tert-butyl-1-phenylpiperidine
CID 612454
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
CID 106820716
N-ethyl-N-methyl-1-phenylpiperidine-4-carboxamide
CID 67767896
4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
CID 167041268
4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 104973837
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine (CID 106820709) is N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is LNKWLOJCNCAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-20(15-18(2,3)14-19)17-10-12-21(13-11-17)16-8-6-5-7-9-16/h5-9,17H,4,10-15,19H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 106820709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).