N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine

C13H27NO — CID 102672590

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCOCCC1(CNCCC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)7-9-14-11-13(5-6-13)8-10-15-4/h14H,5-11H2,1-4H3
InChIKeyCMWSRSRNFMEGIM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine (PubChem CID 102672590) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
PubChem CID102672590
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCOCCC1(CNCCC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)7-9-14-11-13(5-6-13)8-10-15-4/h14H,5-11H2,1-4H3
InChIKeyCMWSRSRNFMEGIM-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
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

N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
1-(4-ethylpiperidin-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 114113003
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2,2-diethyl-N'-[[1-(2-methoxyethyl)cyclopropyl]methyl]propane-1,3-diamine
CID 114112993
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine (CID 102672590) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine is COCCC1(CNCCC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is CMWSRSRNFMEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)7-9-14-11-13(5-6-13)8-10-15-4/h14H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102672590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).