2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine

C9H21N3 — CID 53424715

IUPAC2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CNCCN1
InChIInChI=1S/C9H21N3/c1-9(2,3)12-7-8-6-10-4-5-11-8/h8,10-12H,4-7H2,1-3H3
InChIKeyTUKAUAUHPNMDKL-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.06
Rot. Bonds2

About 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine

2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine (PubChem CID 53424715) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine
PubChem CID53424715
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CNCCN1
InChIInChI=1S/C9H21N3/c1-9(2,3)12-7-8-6-10-4-5-11-8/h8,10-12H,4-7H2,1-3H3
InChIKeyTUKAUAUHPNMDKL-UHFFFAOYSA-N
XLogP-0.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine (CID 53424715) is 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine is CC(C)(C)NCC1CNCCN1.
What is the InChIKey of 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine?
The InChIKey is TUKAUAUHPNMDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,3)12-7-8-6-10-4-5-11-8/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine?
2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine has a molecular weight of 171.29 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 53424715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).