N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine

C10H18N2O — CID 79001737

IUPACN'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCc1ccco1
InChIInChI=1S/C10H18N2O/c1-9(7-11)4-5-12-8-10-3-2-6-13-10/h2-3,6,9,12H,4-5,7-8,11H2,1H3
InChIKeyGCUICPSHRPJNPX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.35
Rot. Bonds6

About N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine

N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine (PubChem CID 79001737) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
PubChem CID79001737
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCc1ccco1
InChIInChI=1S/C10H18N2O/c1-9(7-11)4-5-12-8-10-3-2-6-13-10/h2-3,6,9,12H,4-5,7-8,11H2,1H3
InChIKeyGCUICPSHRPJNPX-UHFFFAOYSA-N
XLogP1.35
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(furan-2-ylmethyl)-2-methylbutane-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

(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine (CID 79001737) is N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine is CC(CN)CCNCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine?
The InChIKey is GCUICPSHRPJNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(7-11)4-5-12-8-10-3-2-6-13-10/h2-3,6,9,12H,4-5,7-8,11H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine?
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 79001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).