N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine

C14H29NO — CID 115906230

IUPACN-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCC1(CCOC)CCC1
InChIInChI=1S/C14H29NO/c1-4-7-13(5-2)15-12-14(8-6-9-14)10-11-16-3/h13,15H,4-12H2,1-3H3
InChIKeyVTMLWLMJPXZYGM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds9

About N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine (PubChem CID 115906230) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
PubChem CID115906230
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCC1(CCOC)CCC1
InChIInChI=1S/C14H29NO/c1-4-7-13(5-2)15-12-14(8-6-9-14)10-11-16-3/h13,15H,4-12H2,1-3H3
InChIKeyVTMLWLMJPXZYGM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358645
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
CID 107269730
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
CID 103903995
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine (CID 115906230) is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine is CCCC(CC)NCC1(CCOC)CCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine?
The InChIKey is VTMLWLMJPXZYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-13(5-2)15-12-14(8-6-9-14)10-11-16-3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine?
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine is sourced from PubChem (CID 115906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).