N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine

C20H40N4 — CID 155184309

IUPACN-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
SMILESCC(C)N1CCC(CN(C)C2CN(CC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H40N4/c1-17(2)24-11-7-18(8-12-24)13-22(4)20-15-23(16-20)14-19-5-9-21(3)10-6-19/h17-20H,5-16H2,1-4H3
InChIKeyKCEBGLFCYVKUKM-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine

N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine (PubChem CID 155184309) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
PubChem CID155184309
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC NameN-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
SMILESCC(C)N1CCC(CN(C)C2CN(CC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H40N4/c1-17(2)24-11-7-18(8-12-24)13-22(4)20-15-23(16-20)14-19-5-9-21(3)10-6-19/h17-20H,5-16H2,1-4H3
InChIKeyKCEBGLFCYVKUKM-UHFFFAOYSA-N
XLogP2.06
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The IUPAC name of N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine (CID 155184309) is N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine is CC(C)N1CCC(CN(C)C2CN(CC3CCN(C)CC3)C2)CC1.
What is the InChIKey of N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The InChIKey is KCEBGLFCYVKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-17(2)24-11-7-18(8-12-24)13-22(4)20-15-23(16-20)14-19-5-9-21(3)10-6-19/h17-20H,5-16H2,1-4H3.
What are the key properties of N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine has a molecular weight of 336.57 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 155184309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).