3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol

C13H23NO2 — CID 65108451

IUPAC3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)Cc1ccco1
InChIInChI=1S/C13H23NO2/c1-4-13(15,5-2)10-14-11(3)9-12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeySFYMQCZNKRLCOZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.35
Rot. Bonds7

About 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol

3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol (PubChem CID 65108451) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
PubChem CID65108451
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)Cc1ccco1
InChIInChI=1S/C13H23NO2/c1-4-13(15,5-2)10-14-11(3)9-12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeySFYMQCZNKRLCOZ-UHFFFAOYSA-N
XLogP2.35
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2,3-dimethylbutan-1-amine
CID 64568053
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
N-carbamoyl-2-[1-(furan-2-yl)propan-2-ylamino]acetamide
CID 61043892
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol (CID 65108451) is 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)Cc1ccco1.
What is the InChIKey of 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol?
The InChIKey is SFYMQCZNKRLCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-13(15,5-2)10-14-11(3)9-12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol?
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65108451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).