2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine

C15H29NO2 — CID 83160361

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCOCCNCC(C)(CCC1CCCO1)C1CC1
InChIInChI=1S/C15H29NO2/c1-15(13-5-6-13,12-16-9-11-17-2)8-7-14-4-3-10-18-14/h13-14,16H,3-12H2,1-2H3
InChIKeyCTDLOZRMDFBJAI-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds9

About 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 83160361) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID83160361
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCOCCNCC(C)(CCC1CCCO1)C1CC1
InChIInChI=1S/C15H29NO2/c1-15(13-5-6-13,12-16-9-11-17-2)8-7-14-4-3-10-18-14/h13-14,16H,3-12H2,1-2H3
InChIKeyCTDLOZRMDFBJAI-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730333
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine (CID 83160361) is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine is COCCNCC(C)(CCC1CCCO1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is CTDLOZRMDFBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(13-5-6-13,12-16-9-11-17-2)8-7-14-4-3-10-18-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine?
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 83160361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).