trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine

C15H30N2 — CID 102738924

IUPACtrans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine
SMILESCCCC1(CCC)CN([C@@H]2CCCC[C@H]2N)C1
InChIInChI=1S/C15H30N2/c1-3-9-15(10-4-2)11-17(12-15)14-8-6-5-7-13(14)16/h13-14H,3-12,16H2,1-2H3/t13-,14-/m1/s1
InChIKeyQSIOBVJHDGNIPB-ZIAGYGMSSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds5

About trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine

trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine (PubChem CID 102738924) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine
PubChem CID102738924
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nametrans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine
SMILESCCCC1(CCC)CN([C@@H]2CCCC[C@H]2N)C1
InChIInChI=1S/C15H30N2/c1-3-9-15(10-4-2)11-17(12-15)14-8-6-5-7-13(14)16/h13-14H,3-12,16H2,1-2H3/t13-,14-/m1/s1
InChIKeyQSIOBVJHDGNIPB-ZIAGYGMSSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol
CID 114179213
2-(3,3-dimethylazetidin-1-yl)cyclohexan-1-amine
CID 79677400
2-(3-ethylazetidin-1-yl)cyclopentan-1-amine
CID 79678496
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
CID 63169813
2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
CID 55117691
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-amine
CID 63610861
2-(3,4-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79188038
2-(4-cyclopentylpiperazin-1-yl)cyclohexan-1-amine
CID 62368613
2-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 54985776
4-(2-aminocyclohexyl)-1-methyl-1,4-diazepan-2-one
CID 102891888

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine (CID 102738924) is trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine is CCCC1(CCC)CN([C@@H]2CCCC[C@H]2N)C1.
What is the InChIKey of trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine?
The InChIKey is QSIOBVJHDGNIPB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-9-15(10-4-2)11-17(12-15)14-8-6-5-7-13(14)16/h13-14H,3-12,16H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 102738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).