N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine

C16H35N3 — CID 102994334

IUPACN'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H35N3/c1-6-19(12-8-11-18(4)5)14-16(2,3)15-9-7-10-17-13-15/h15,17H,6-14H2,1-5H3
InChIKeyBVJHGSZXZDCCHE-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.29
Rot. Bonds8

About N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine (PubChem CID 102994334) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine
PubChem CID102994334
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H35N3/c1-6-19(12-8-11-18(4)5)14-16(2,3)15-9-7-10-17-13-15/h15,17H,6-14H2,1-5H3
InChIKeyBVJHGSZXZDCCHE-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
CID 83198617
N,N-dimethyl-1-[[methyl-(2-methyl-2-piperidin-3-ylpropyl)amino]methyl]cyclobutan-1-amine
CID 105421322
N-(2-methyl-2-piperidin-3-ylpropyl)cyclopropanamine
CID 83200198
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
CID 83199655
2-methyl-2-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 83199239
(3R)-3-tert-butylpiperidine
CID 59772800
2-piperidin-3-ylbutan-2-ol
CID 63586087
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
CID 102997075
2-methyl-2-piperidin-3-yl-N-propylpropan-1-amine
CID 83199931

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine (CID 102994334) is N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine is CCN(CCCN(C)C)CC(C)(C)C1CCCNC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine?
The InChIKey is BVJHGSZXZDCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-19(12-8-11-18(4)5)14-16(2,3)15-9-7-10-17-13-15/h15,17H,6-14H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 102994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).