2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

C14H27N3O — CID 55226797

IUPAC2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CCCN(C)C
InChIInChI=1S/C14H27N3O/c1-13(17(4)9-6-8-16(2)3)11-15-12-14-7-5-10-18-14/h5,7,10,13,15H,6,8-9,11-12H2,1-4H3
InChIKeyCFJJYNSIUUYEHR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.64
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 55226797) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID55226797
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CCCN(C)C
InChIInChI=1S/C14H27N3O/c1-13(17(4)9-6-8-16(2)3)11-15-12-14-7-5-10-18-14/h5,7,10,13,15H,6,8-9,11-12H2,1-4H3
InChIKeyCFJJYNSIUUYEHR-UHFFFAOYSA-N
XLogP1.64
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-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

1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)propane-1,2-diamine
CID 62568181
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (CID 55226797) is 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is CC(CNCc1ccco1)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is CFJJYNSIUUYEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(17(4)9-6-8-16(2)3)11-15-12-14-7-5-10-18-14/h5,7,10,13,15H,6,8-9,11-12H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55226797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).