cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine

C11H23NO — CID 95757330

IUPACcis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
SMILESCCCCO[C@H]1C[C@@H](NC)C1(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-13-10-8-9(12-4)11(10,2)3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyCEDKRBZVHVWKPM-ZJUUUORDSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine

cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 95757330) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
PubChem CID95757330
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namecis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
SMILESCCCCO[C@H]1C[C@@H](NC)C1(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-13-10-8-9(12-4)11(10,2)3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyCEDKRBZVHVWKPM-ZJUUUORDSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
N,2,2-trimethyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 66359193
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
1-(3-butoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
CID 111757560
3-butoxy-N-(2-chloroprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 115906348
4-[(3-butoxy-2,2-dimethylcyclobutyl)amino]cyclohexane-1-carboxylic acid
CID 122031836
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine (CID 95757330) is cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine is CCCCO[C@H]1C[C@@H](NC)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is CEDKRBZVHVWKPM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-13-10-8-9(12-4)11(10,2)3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine?
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 95757330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).