N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine

C11H20N2O — CID 80544345

IUPACN-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCc1ccco1
InChIInChI=1S/C11H20N2O/c1-10(4-6-12)9-13-7-5-11-3-2-8-14-11/h2-3,8,10,13H,4-7,9,12H2,1H3
InChIKeyKMHDFDCJQBMEFF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine

N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine (PubChem CID 80544345) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
PubChem CID80544345
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNCCc1ccco1
InChIInChI=1S/C11H20N2O/c1-10(4-6-12)9-13-7-5-11-3-2-8-14-11/h2-3,8,10,13H,4-7,9,12H2,1H3
InChIKeyKMHDFDCJQBMEFF-UHFFFAOYSA-N
XLogP1.40
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.40
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-propan-2-ylpropane-1,3-diamine
CID 65232705
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
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine (CID 80544345) is N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine is CC(CCN)CNCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine?
The InChIKey is KMHDFDCJQBMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(4-6-12)9-13-7-5-11-3-2-8-14-11/h2-3,8,10,13H,4-7,9,12H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine?
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.40, 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-methylbutane-1,4-diamine is sourced from PubChem (CID 80544345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).