N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

C15H26N2O — CID 62556677

IUPACN-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCCC1)Cc1ccco1
InChIInChI=1S/C15H26N2O/c1-2-17(13-15-8-5-11-18-15)10-9-16-12-14-6-3-4-7-14/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyVVHZLFUEPHDOQB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.88
Rot. Bonds8

About N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62556677) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62556677
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCCC1)Cc1ccco1
InChIInChI=1S/C15H26N2O/c1-2-17(13-15-8-5-11-18-15)10-9-16-12-14-6-3-4-7-14/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyVVHZLFUEPHDOQB-UHFFFAOYSA-N
XLogP2.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.88
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'-ethyl-N'-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62558243
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
N-(cyclopentylmethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556471
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120
2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (CID 62556677) is N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is CCN(CCNCC1CCCC1)Cc1ccco1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is VVHZLFUEPHDOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-17(13-15-8-5-11-18-15)10-9-16-12-14-6-3-4-7-14/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).