trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine

C6H13NO — CID 102199308

IUPACtrans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
SMILESCCO[C@]1(C)C[C@@H]1N
InChIInChI=1S/C6H13NO/c1-3-8-6(2)4-5(6)7/h5H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyVJTAFCBSSLRXBC-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds2

About trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine

trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine (PubChem CID 102199308) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
PubChem CID102199308
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nametrans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
SMILESCCO[C@]1(C)C[C@@H]1N
InChIInChI=1S/C6H13NO/c1-3-8-6(2)4-5(6)7/h5H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyVJTAFCBSSLRXBC-NTSWFWBYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 125424211
2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 131476387
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
1-methylcyclopropane-1,2-diamine
CID 15182447
3-ethoxy-3-methylazetidine
CID 83066072
2,2-diethoxy-1,3-dioxan-5-amine
CID 59657937
4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
CID 121202795
4,4-diethoxy-1-methylpiperidin-3-amine
CID 11953520
cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine
CID 71222393
1-ethoxy-4-methyladamantane
CID 141189891
2-(ethoxymethyl)-1,1-dimethylcyclopentane
CID 91066483
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine (CID 102199308) is trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine is CCO[C@]1(C)C[C@@H]1N.
What is the InChIKey of trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine?
The InChIKey is VJTAFCBSSLRXBC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-8-6(2)4-5(6)7/h5H,3-4,7H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine?
trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine is sourced from PubChem (CID 102199308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).