N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine

C13H23NO — CID 64568053

IUPACN-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
SMILESCC(Cc1ccco1)NCC(C)C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h5-7,10-12,14H,8-9H2,1-4H3
InChIKeyUNIBUWDZSUXEDO-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine

N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine (PubChem CID 64568053) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
PubChem CID64568053
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
SMILESCC(Cc1ccco1)NCC(C)C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h5-7,10-12,14H,8-9H2,1-4H3
InChIKeyUNIBUWDZSUXEDO-UHFFFAOYSA-N
XLogP3.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
CID 103369752
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
CID 81102507
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine (CID 64568053) is N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine is CC(Cc1ccco1)NCC(C)C(C)C.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine?
The InChIKey is UNIBUWDZSUXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h5-7,10-12,14H,8-9H2,1-4H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine?
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64568053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).