N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine

C17H37N3 — CID 43307897

IUPACN',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCCCN1CCC(C(C)NCCCN(CC)CC)CC1
InChIInChI=1S/C17H37N3/c1-5-12-20-14-9-17(10-15-20)16(4)18-11-8-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyUWOVWULOGMSTKL-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds10

About N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine

N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine (PubChem CID 43307897) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
PubChem CID43307897
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCCCN1CCC(C(C)NCCCN(CC)CC)CC1
InChIInChI=1S/C17H37N3/c1-5-12-20-14-9-17(10-15-20)16(4)18-11-8-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyUWOVWULOGMSTKL-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine (CID 43307897) is N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine is CCCN1CCC(C(C)NCCCN(CC)CC)CC1.
What is the InChIKey of N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is UWOVWULOGMSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-12-20-14-9-17(10-15-20)16(4)18-11-8-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 43307897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).