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

C27H60N8 — CID 162742219

IUPAC(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-propylpiperazine
SMILESCC1(CN)CNC1.CCCN1CCN(C)CC1.CN1CC2(C1)CN(CC1CCNCC1)C2.CNC
InChIInChI=1S/C12H23N3.C8H18N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-3-4-10-7-5-9(2)6-8-10;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;3-8H2,1-2H3;7H,2-4,6H2,1H3;3H,1-2H3
InChIKeyXEQHQGGJXAQXCZ-UHFFFAOYSA-N
MW496.83 g/mol
LogP0.27
Rot. Bonds5

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

(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-propylpiperazine (PubChem CID 162742219) has the molecular formula C27H60N8 and a molecular weight of 496.83 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-methyl-4-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-methyl-4-propylpiperazine
PubChem CID162742219
Molecular FormulaC27H60N8
Molecular Weight496.83 g/mol
Exact Mass496.49
IUPAC Name(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-propylpiperazine
SMILESCC1(CN)CNC1.CCCN1CCN(C)CC1.CN1CC2(C1)CN(CC1CCNCC1)C2.CNC
InChIInChI=1S/C12H23N3.C8H18N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-3-4-10-7-5-9(2)6-8-10;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;3-8H2,1-2H3;7H,2-4,6H2,1H3;3H,1-2H3
InChIKeyXEQHQGGJXAQXCZ-UHFFFAOYSA-N
XLogP0.27
TPSA75.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.83
LogP ≤ 50.27
H-Bond Donors ≤ 54
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-methyl-4-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-methyl-4-propylpiperazine (CID 162742219) is (3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-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-methyl-4-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-methyl-4-propylpiperazine is CC1(CN)CNC1.CCCN1CCN(C)CC1.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-methyl-4-propylpiperazine?
The InChIKey is XEQHQGGJXAQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.C8H18N2.C5H12N2.C2H7N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-3-4-10-7-5-9(2)6-8-10;1-5(2-6)3-7-4-5;1-3-2/h11,13H,2-10H2,1H3;3-8H2,1-2H3;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-methyl-4-propylpiperazine?
(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-propylpiperazine has a molecular weight of 496.83 g/mol, XLogP of 0.27, 5 rotatable bonds, 4 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-methyl-4-propylpiperazine is sourced from PubChem (CID 162742219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).