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

C14H23NO — CID 102641309

IUPACN-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H23NO/c1-6-14(5,11-15-13(2,3)4)9-12-7-8-16-10-12/h6-8,10,15H,1,9,11H2,2-5H3
InChIKeyDNUBFLJASZWTAV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds5

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

N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine (PubChem CID 102641309) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine
PubChem CID102641309
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H23NO/c1-6-14(5,11-15-13(2,3)4)9-12-7-8-16-10-12/h6-8,10,15H,1,9,11H2,2-5H3
InChIKeyDNUBFLJASZWTAV-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine
CID 83182898
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
N-tert-butyl-2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 107309854
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641413
2-[(4-bromophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640528
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102859330
N-tert-butyl-2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641353
N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine
CID 102641301
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602
N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
CID 83182392
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641411

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine (CID 102641309) is N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CNC(C)(C)C)Cc1ccoc1.
What is the InChIKey of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine?
The InChIKey is DNUBFLJASZWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(5,11-15-13(2,3)4)9-12-7-8-16-10-12/h6-8,10,15H,1,9,11H2,2-5H3.
What are the key properties of N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine?
N-tert-butyl-2-(furan-3-ylmethyl)-2-methylbut-3-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.40, 5 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-methylbut-3-en-1-amine is sourced from PubChem (CID 102641309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).