N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine

C13H29N3 — CID 783804

IUPACN,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCCN1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-8-16-9-6-13(7-10-16)15(4)12-11-14(2)3/h13H,5-12H2,1-4H3
InChIKeyHVZGGIOKVNVIEZ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.35
Rot. Bonds6

About N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 783804) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID783804
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCCN1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-8-16-9-6-13(7-10-16)15(4)12-11-14(2)3/h13H,5-12H2,1-4H3
InChIKeyHVZGGIOKVNVIEZ-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine (CID 783804) is N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine is CCCN1CCC(N(C)CCN(C)C)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is HVZGGIOKVNVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-8-16-9-6-13(7-10-16)15(4)12-11-14(2)3/h13H,5-12H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).