trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride

C7H16ClN — CID 139022348

IUPACtrans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H]1C[C@H]1N.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2,3)5-4-6(5)8;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m1./s1
InChIKeyFEDWISBIFUPRJP-KGZKBUQUSA-N
MW149.66 g/mol
LogP1.80
Rot. Bonds

About trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride

trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride (PubChem CID 139022348) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
PubChem CID139022348
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Nametrans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H]1C[C@H]1N.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2,3)5-4-6(5)8;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m1./s1
InChIKeyFEDWISBIFUPRJP-KGZKBUQUSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride (CID 139022348) is trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride is CC(C)(C)[C@@H]1C[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride?
The InChIKey is FEDWISBIFUPRJP-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-7(2,3)5-4-6(5)8;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m1./s1.
What are the key properties of trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 139022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).