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

C13H24N2O — CID 61423061

IUPAC2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
SMILESCCN(Cc1ccco1)C(CN)CC(C)C
InChIInChI=1S/C13H24N2O/c1-4-15(10-13-6-5-7-16-13)12(9-14)8-11(2)3/h5-7,11-12H,4,8-10,14H2,1-3H3
InChIKeyFADDONAMRSTENA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.47
Rot. Bonds7

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

2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine (PubChem CID 61423061) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
PubChem CID61423061
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
SMILESCCN(Cc1ccco1)C(CN)CC(C)C
InChIInChI=1S/C13H24N2O/c1-4-15(10-13-6-5-7-16-13)12(9-14)8-11(2)3/h5-7,11-12H,4,8-10,14H2,1-3H3
InChIKeyFADDONAMRSTENA-UHFFFAOYSA-N
XLogP2.47
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
CID 103391763
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61423393
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355272
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
CID 62036820
2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine (CID 61423061) is 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine is CCN(Cc1ccco1)C(CN)CC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The InChIKey is FADDONAMRSTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(10-13-6-5-7-16-13)12(9-14)8-11(2)3/h5-7,11-12H,4,8-10,14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 61423061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).