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

C13H29N3 — CID 58547466

IUPACN,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC(C)N1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)16-8-6-13(7-9-16)15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyWYKYOHBPQUCIQC-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.35
Rot. Bonds5

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

N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 58547466) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID58547466
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC(C)N1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)16-8-6-13(7-9-16)15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyWYKYOHBPQUCIQC-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-Cyclohexyl-4-ethylpiperazine
CID 44598131
1-Cyclohexyl-4-pentylpiperazine
CID 145990169
N-cyclohexyl-1-ethyl-N-methyl-4-piperidinamine
CID 783843
1-Cycloheptyl-4-methylpiperazine
CID 784281
N-Isopropylpiperidine
CID 240410
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
1-Propylpiperidin-3-amine
CID 18464262
1-(((2S)-1-Methylpyrrolidin-2-yl)methyl)piperidine
CID 11126915
1-Ethyl-2-methylpiperidine
CID 522625
1-(2-Aminopropyl)piperidine
CID 118143
2-(Piperidin-1-yl)propan-1-amine
CID 12455409
1-[2-(Dimethylamino)ethyl]piperidin-4-amine
CID 16776189

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine (CID 58547466) is N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine is CC(C)N1CCC(N(C)CCN(C)C)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is WYKYOHBPQUCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)16-8-6-13(7-9-16)15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.35, 5 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-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 58547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).