cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine

C14H21N — CID 102179465

IUPACcis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
SMILESCC(C)(C)N[C@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)15-13-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyIANIJHNAFXDQLX-STQMWFEESA-N
MW203.33 g/mol
LogP3.32
Rot. Bonds2

About cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine

cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine (PubChem CID 102179465) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
PubChem CID102179465
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namecis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
SMILESCC(C)(C)N[C@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)15-13-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyIANIJHNAFXDQLX-STQMWFEESA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 124861861
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane
CID 135305318
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine?
The IUPAC name of cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine (CID 102179465) is cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine.
What is the SMILES notation for cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine?
The canonical SMILES for cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine is CC(C)(C)N[C@H]1CC[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine?
The InChIKey is IANIJHNAFXDQLX-STQMWFEESA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)15-13-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine?
cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine is sourced from PubChem (CID 102179465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).