N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine

C13H30N4 — CID 65383770

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-4-17(5-2)11-8-15-13(12-14)6-9-16(3)10-7-13/h15H,4-12,14H2,1-3H3
InChIKeyPWDFZIQUODFDTI-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.34
Rot. Bonds7

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 65383770) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID65383770
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-4-17(5-2)11-8-15-13(12-14)6-9-16(3)10-7-13/h15H,4-12,14H2,1-3H3
InChIKeyPWDFZIQUODFDTI-UHFFFAOYSA-N
XLogP0.34
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine (CID 65383770) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1(CN)CCN(C)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is PWDFZIQUODFDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-4-17(5-2)11-8-15-13(12-14)6-9-16(3)10-7-13/h15H,4-12,14H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 65383770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).