1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine

C15H28N2O — CID 62420435

IUPAC1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
SMILESCC(CCCNC(C)(C)C)N(C)Cc1ccco1
InChIInChI=1S/C15H28N2O/c1-13(8-6-10-16-15(2,3)4)17(5)12-14-9-7-11-18-14/h7,9,11,13,16H,6,8,10,12H2,1-5H3
InChIKeyQSHAGOIPVXXQBB-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.27
Rot. Bonds7

About 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine

1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine (PubChem CID 62420435) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
PubChem CID62420435
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
SMILESCC(CCCNC(C)(C)C)N(C)Cc1ccco1
InChIInChI=1S/C15H28N2O/c1-13(8-6-10-16-15(2,3)4)17(5)12-14-9-7-11-18-14/h7,9,11,13,16H,6,8,10,12H2,1-5H3
InChIKeyQSHAGOIPVXXQBB-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-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

4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
CID 62412171
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
CID 113409228
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine (CID 62420435) is 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine is CC(CCCNC(C)(C)C)N(C)Cc1ccco1.
What is the InChIKey of 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine?
The InChIKey is QSHAGOIPVXXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(8-6-10-16-15(2,3)4)17(5)12-14-9-7-11-18-14/h7,9,11,13,16H,6,8,10,12H2,1-5H3.
What are the key properties of 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine?
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).