(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine

C26H58N8 — CID 162741530

IUPAC(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine
SMILESCC1(CN)CNC1.CCCN1CCNCC1.CN1CC2(C1)CN(CC1CCNCC1)C2.CNC
InChIInChI=1S/C12H23N3.C7H16N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-5-9-6-3-8-4-7-9;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;8H,2-7H2,1H3;7H,2-4,6H2,1H3;3H,1-2H3
InChIKeyUXISBKZDOPDLDI-UHFFFAOYSA-N
MW482.81 g/mol
LogP-0.07
Rot. Bonds5

About (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine

(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine (PubChem CID 162741530) has the molecular formula C26H58N8 and a molecular weight of 482.81 g/mol. Its IUPAC name is (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine.

Molecular Properties

Compound Name(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine
PubChem CID162741530
Molecular FormulaC26H58N8
Molecular Weight482.81 g/mol
Exact Mass482.48
IUPAC Name(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine
SMILESCC1(CN)CNC1.CCCN1CCNCC1.CN1CC2(C1)CN(CC1CCNCC1)C2.CNC
InChIInChI=1S/C12H23N3.C7H16N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-5-9-6-3-8-4-7-9;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;8H,2-7H2,1H3;7H,2-4,6H2,1H3;3H,1-2H3
InChIKeyUXISBKZDOPDLDI-UHFFFAOYSA-N
XLogP-0.07
TPSA83.86 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.81
LogP ≤ 5-0.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine?
The IUPAC name of (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine (CID 162741530) is (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine.
What is the SMILES notation for (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine?
The canonical SMILES for (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine is CC1(CN)CNC1.CCCN1CCNCC1.CN1CC2(C1)CN(CC1CCNCC1)C2.CNC.
What is the InChIKey of (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine?
The InChIKey is UXISBKZDOPDLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.C7H16N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-5-9-6-3-8-4-7-9;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;8H,2-7H2,1H3;7H,2-4,6H2,1H3;3H,1-2H3.
What are the key properties of (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine?
(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine has a molecular weight of 482.81 g/mol, XLogP of -0.07, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine is sourced from PubChem (CID 162741530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).