N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine

C15H27NO — CID 83182898

IUPACN-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C15H27NO/c1-6-8-15(5,12-16-14(2,3)4)10-13-7-9-17-11-13/h7,9,11,16H,6,8,10,12H2,1-5H3
InChIKeyFQFSJBXNZGFYQZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.02
Rot. Bonds6

About N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine

N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine (PubChem CID 83182898) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine
PubChem CID83182898
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C15H27NO/c1-6-8-15(5,12-16-14(2,3)4)10-13-7-9-17-11-13/h7,9,11,16H,6,8,10,12H2,1-5H3
InChIKeyFQFSJBXNZGFYQZ-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602
N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine
CID 102641309
N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 102858809
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546
3-octylfuran
CID 12700162

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine (CID 83182898) is N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)Cc1ccoc1.
What is the InChIKey of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine?
The InChIKey is FQFSJBXNZGFYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-8-15(5,12-16-14(2,3)4)10-13-7-9-17-11-13/h7,9,11,16H,6,8,10,12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine?
N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 83182898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).