N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine

C14H26N2O — CID 107444697

IUPACN'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
SMILESCC(CCc1ccco1)NCCNC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-12(7-8-13-6-5-11-17-13)15-9-10-16-14(2,3)4/h5-6,11-12,15-16H,7-10H2,1-4H3
InChIKeyLRBXXYDMOVAJMP-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.58
Rot. Bonds7

About N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine

N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine (PubChem CID 107444697) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
PubChem CID107444697
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC NameN'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
SMILESCC(CCc1ccco1)NCCNC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-12(7-8-13-6-5-11-17-13)15-9-10-16-14(2,3)4/h5-6,11-12,15-16H,7-10H2,1-4H3
InChIKeyLRBXXYDMOVAJMP-UHFFFAOYSA-N
XLogP2.58
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.58
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'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine (CID 107444697) is N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine is CC(CCc1ccco1)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine?
The InChIKey is LRBXXYDMOVAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(7-8-13-6-5-11-17-13)15-9-10-16-14(2,3)4/h5-6,11-12,15-16H,7-10H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine?
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 107444697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).