N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C12H22N2O — CID 65232705

IUPACN'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-10(2)11(8-13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3
InChIKeyJXDUUXFSPVRSCJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.64
Rot. Bonds7

About N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65232705) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID65232705
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-10(2)11(8-13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3
InChIKeyJXDUUXFSPVRSCJ-UHFFFAOYSA-N
XLogP1.64
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.64
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

N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252576
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 65232705) is N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCCc1ccco1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is JXDUUXFSPVRSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)11(8-13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3.
What are the key properties of N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65232705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).