[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol

C8H14N2O2 — CID 171231063

IUPAC[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
SMILESNCC[C@H](N)c1ccc(CO)o1
InChIInChI=1S/C8H14N2O2/c9-4-3-7(10)8-2-1-6(5-11)12-8/h1-2,7,11H,3-5,9-10H2/t7-/m0/s1
InChIKeyQRZDHDPRDWJZQK-ZETCQYMHSA-N
MW170.21 g/mol
LogP0.12
Rot. Bonds4

About [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol

[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol (PubChem CID 171231063) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
PubChem CID171231063
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
SMILESNCC[C@H](N)c1ccc(CO)o1
InChIInChI=1S/C8H14N2O2/c9-4-3-7(10)8-2-1-6(5-11)12-8/h1-2,7,11H,3-5,9-10H2/t7-/m0/s1
InChIKeyQRZDHDPRDWJZQK-ZETCQYMHSA-N
XLogP0.12
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
CID 130817286
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533
[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
CID 131528338

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol (CID 171231063) is [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol is NCC[C@H](N)c1ccc(CO)o1.
What is the InChIKey of [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol?
The InChIKey is QRZDHDPRDWJZQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-4-3-7(10)8-2-1-6(5-11)12-8/h1-2,7,11H,3-5,9-10H2/t7-/m0/s1.
What are the key properties of [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol?
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol is sourced from PubChem (CID 171231063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).