4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine

C16H34N2 — CID 139318278

IUPAC4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine
SMILESCCCN(C)C(C)CC(C)(C)C1(CC)CN(C)C1
InChIInChI=1S/C16H34N2/c1-8-10-18(7)14(3)11-15(4,5)16(9-2)12-17(6)13-16/h14H,8-13H2,1-7H3
InChIKeyMUWFAADBVHPLFX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.47
Rot. Bonds7

About 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine

4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine (PubChem CID 139318278) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine
PubChem CID139318278
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine
SMILESCCCN(C)C(C)CC(C)(C)C1(CC)CN(C)C1
InChIInChI=1S/C16H34N2/c1-8-10-18(7)14(3)11-15(4,5)16(9-2)12-17(6)13-16/h14H,8-13H2,1-7H3
InChIKeyMUWFAADBVHPLFX-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine (CID 139318278) is 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine is CCCN(C)C(C)CC(C)(C)C1(CC)CN(C)C1.
What is the InChIKey of 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is MUWFAADBVHPLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-10-18(7)14(3)11-15(4,5)16(9-2)12-17(6)13-16/h14H,8-13H2,1-7H3.
What are the key properties of 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine?
4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 139318278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).