trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine

C7H15NO — CID 125424211

IUPACtrans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@@]1(C)C[C@H]1N
InChIInChI=1S/C7H15NO/c1-5(2)9-7(3)4-6(7)8/h5-6H,4,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyGSTCANUUSWQTAA-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds2

About trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine

trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine (PubChem CID 125424211) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
PubChem CID125424211
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nametrans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@@]1(C)C[C@H]1N
InChIInChI=1S/C7H15NO/c1-5(2)9-7(3)4-6(7)8/h5-6H,4,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyGSTCANUUSWQTAA-RQJHMYQMSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 131476387
trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
CID 102199308
1-methylcyclopropane-1,2-diamine
CID 15182447
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine
CID 58313495
2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
CID 99855461
2-[dimethyl(propan-2-yloxy)silyl]-1-methylcyclopropan-1-ol
CID 67276582
1-methyl-3-(3-methylpentan-2-yl)cyclobutan-1-amine
CID 123215051
O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 95240984

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine (CID 125424211) is trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine is CC(C)O[C@@]1(C)C[C@H]1N.
What is the InChIKey of trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine?
The InChIKey is GSTCANUUSWQTAA-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)9-7(3)4-6(7)8/h5-6H,4,8H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine?
trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine is sourced from PubChem (CID 125424211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).