N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine

C16H30N2O — CID 55072248

IUPACN-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
SMILESCCN(CCCCCNC(C)(C)C)Cc1ccco1
InChIInChI=1S/C16H30N2O/c1-5-18(14-15-10-9-13-19-15)12-8-6-7-11-17-16(2,3)4/h9-10,13,17H,5-8,11-12,14H2,1-4H3
InChIKeyYAZSIGWJGCREAJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.66
Rot. Bonds9

About N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine

N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine (PubChem CID 55072248) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
PubChem CID55072248
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
SMILESCCN(CCCCCNC(C)(C)C)Cc1ccco1
InChIInChI=1S/C16H30N2O/c1-5-18(14-15-10-9-13-19-15)12-8-6-7-11-17-16(2,3)4/h9-10,13,17H,5-8,11-12,14H2,1-4H3
InChIKeyYAZSIGWJGCREAJ-UHFFFAOYSA-N
XLogP3.66
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
CID 113409228

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine (CID 55072248) is N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine is CCN(CCCCCNC(C)(C)C)Cc1ccco1.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is YAZSIGWJGCREAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-18(14-15-10-9-13-19-15)12-8-6-7-11-17-16(2,3)4/h9-10,13,17H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine?
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 55072248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).