N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine

C15H33N3 — CID 102994383

IUPACN'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
SMILESCCN(CCCC1CCNCC1)CCCN(C)C
InChIInChI=1S/C15H33N3/c1-4-18(14-6-12-17(2)3)13-5-7-15-8-10-16-11-9-15/h15-16H,4-14H2,1-3H3
InChIKeyLTBRLBKCDWPTTL-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine (PubChem CID 102994383) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
PubChem CID102994383
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
SMILESCCN(CCCC1CCNCC1)CCCN(C)C
InChIInChI=1S/C15H33N3/c1-4-18(14-6-12-17(2)3)13-5-7-15-8-10-16-11-9-15/h15-16H,4-14H2,1-3H3
InChIKeyLTBRLBKCDWPTTL-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
N,2-diethyl-N-(3-piperidin-4-ylpropyl)butan-1-amine
CID 62212514
N-ethyl-N-methyl-2-piperidin-4-ylethanamine
CID 43263497
N-[3-(diethylamino)propyl]-N-ethyl-3-piperidin-4-ylpropanamide
CID 102992986
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N,N-diethyl-2-(2-piperidin-4-ylethoxy)ethanamine
CID 15057325
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-butyl-N-(3-piperidin-4-ylpropyl)cyclopropanamine
CID 62212523
ethane;4-propylpiperidine
CID 142071399
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N,4-dimethyl-N-(3-piperidin-4-ylpropyl)cyclohexan-1-amine
CID 62212511
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine (CID 102994383) is N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine is CCN(CCCC1CCNCC1)CCCN(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine?
The InChIKey is LTBRLBKCDWPTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-18(14-6-12-17(2)3)13-5-7-15-8-10-16-11-9-15/h15-16H,4-14H2,1-3H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 9 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'-(3-piperidin-4-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 102994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).