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

C10H17NO — CID 79830783

IUPAC3-(furan-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccco1
InChIInChI=1S/C10H17NO/c1-10(2,6-7-11-3)9-5-4-8-12-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyOOKINFNDDSHHSO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds4

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

3-(furan-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 79830783) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID79830783
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(furan-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccco1
InChIInChI=1S/C10H17NO/c1-10(2,6-7-11-3)9-5-4-8-12-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyOOKINFNDDSHHSO-UHFFFAOYSA-N
XLogP2.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782
N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
CID 66001662
CID 158971917
CID 158971917
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
5-(furan-2-yl)nona-1,8-dien-5-ol
CID 101465599
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2-(furan-2-yl)propan-2-amine;hydron;chloride
CID 146472064
2-(furan-2-yl)-4-methoxybutan-2-ol
CID 63949969
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
tris(furan-2-yl)methylsilane
CID 71354015
bis(furan-2-yl)methanediamine
CID 175922439

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N,3-dimethylbutan-1-amine (CID 79830783) is 3-(furan-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is OOKINFNDDSHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,6-7-11-3)9-5-4-8-12-9/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-N,3-dimethylbutan-1-amine?
3-(furan-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79830783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).