N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine

C17H27NO — CID 62199823

IUPACN-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCCCC(C)NC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-5-6-13(2)18-16-11-15(12-16)14-7-9-17(19-3)10-8-14/h7-10,13,15-16,18H,4-6,11-12H2,1-3H3
InChIKeyXWDDFWQYXYKFSP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds7

About N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine

N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 62199823) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID62199823
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCCCC(C)NC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-5-6-13(2)18-16-11-15(12-16)14-7-9-17(19-3)10-8-14/h7-10,13,15-16,18H,4-6,11-12H2,1-3H3
InChIKeyXWDDFWQYXYKFSP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
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3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
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3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
3-(4-fluorophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64604417
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
CID 106281880
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
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CID 114107711

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine (CID 62199823) is N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine is CCCCC(C)NC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is XWDDFWQYXYKFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-13(2)18-16-11-15(12-16)14-7-9-17(19-3)10-8-14/h7-10,13,15-16,18H,4-6,11-12H2,1-3H3.
What are the key properties of N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine?
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 62199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).