N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine

C13H27NO — CID 65194527

IUPACN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCOCCC(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-12(2)5-9-15-10-8-13(11-14-3)6-4-7-13/h12,14H,4-11H2,1-3H3
InChIKeyYCWMNEVCMBOZEH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds8

About N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine

N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine (PubChem CID 65194527) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
PubChem CID65194527
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCOCCC(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-12(2)5-9-15-10-8-13(11-14-3)6-4-7-13/h12,14H,4-11H2,1-3H3
InChIKeyYCWMNEVCMBOZEH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
CID 66024632
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
CID 62905566
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine (CID 65194527) is N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine is CNCC1(CCOCCC(C)C)CCC1.
What is the InChIKey of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine?
The InChIKey is YCWMNEVCMBOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)5-9-15-10-8-13(11-14-3)6-4-7-13/h12,14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine?
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 65194527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).