4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine

C15H32N2 — CID 137439523

IUPAC4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCCC1(C(C)(C)CC(C)N(C)C(C)C)CNC1
InChIInChI=1S/C15H32N2/c1-8-15(10-16-11-15)14(5,6)9-13(4)17(7)12(2)3/h12-13,16H,8-11H2,1-7H3
InChIKeySMLACPRZDGRYFI-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.13
Rot. Bonds6

About 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine

4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 137439523) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine
PubChem CID137439523
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCCC1(C(C)(C)CC(C)N(C)C(C)C)CNC1
InChIInChI=1S/C15H32N2/c1-8-15(10-16-11-15)14(5,6)9-13(4)17(7)12(2)3/h12-13,16H,8-11H2,1-7H3
InChIKeySMLACPRZDGRYFI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethyl-1-methylazetidin-3-yl)-N,4-dimethyl-N-propylpentan-2-amine
CID 139318278
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
N-[(3-ethylazetidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404355
3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine
CID 144754749
3-tert-butyl-3-ethylpiperidine
CID 89426414
N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine
CID 130806357
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
4-ethyl-4-propan-2-yl-2-azaspiro[4.4]nonane
CID 134605127
1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
CID 123993522
4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine
CID 166922136
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine (CID 137439523) is 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine is CCC1(C(C)(C)CC(C)N(C)C(C)C)CNC1.
What is the InChIKey of 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is SMLACPRZDGRYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-15(10-16-11-15)14(5,6)9-13(4)17(7)12(2)3/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 240.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylazetidin-3-yl)-N,4-dimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 137439523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).