N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine

C12H22N2O — CID 79256730

IUPACN'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-12(2,3)14-9-8-13-7-6-11-5-4-10-15-11/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyHXBTZQDXAQQSKE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.80
Rot. Bonds6

About N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 79256730) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID79256730
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-12(2,3)14-9-8-13-7-6-11-5-4-10-15-11/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyHXBTZQDXAQQSKE-UHFFFAOYSA-N
XLogP1.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
CID 113409228
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651461
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine (CID 79256730) is N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine is CC(C)(C)NCCNCCc1ccco1.
What is the InChIKey of N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is HXBTZQDXAQQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)14-9-8-13-7-6-11-5-4-10-15-11/h4-5,10,13-14H,6-9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 79256730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).