(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine

C10H18N2O — CID 171231965

IUPAC(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
SMILESCc1ccc([C@@H](N)CCCCN)o1
InChIInChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(12)4-2-3-7-11/h5-6,9H,2-4,7,11-12H2,1H3/t9-/m0/s1
InChIKeyMSDVUEGHHRLAJZ-VIFPVBQESA-N
MW182.27 g/mol
LogP1.72
Rot. Bonds5

About (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine

(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine (PubChem CID 171231965) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
PubChem CID171231965
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
SMILESCc1ccc([C@@H](N)CCCCN)o1
InChIInChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(12)4-2-3-7-11/h5-6,9H,2-4,7,11-12H2,1H3/t9-/m0/s1
InChIKeyMSDVUEGHHRLAJZ-VIFPVBQESA-N
XLogP1.72
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine (CID 171231965) is (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine is Cc1ccc([C@@H](N)CCCCN)o1.
What is the InChIKey of (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine?
The InChIKey is MSDVUEGHHRLAJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(12)4-2-3-7-11/h5-6,9H,2-4,7,11-12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine?
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 171231965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).