N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine

C17H28N2O — CID 64509077

IUPACN-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H28N2O/c1-6-12(2)19(5)15(11-18)14-9-7-8-13-10-17(3,4)20-16(13)14/h7-9,12,15H,6,10-11,18H2,1-5H3
InChIKeyLHIPNVVNTVJALX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds5

About N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine

N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine (PubChem CID 64509077) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine
PubChem CID64509077
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H28N2O/c1-6-12(2)19(5)15(11-18)14-9-7-8-13-10-17(3,4)20-16(13)14/h7-9,12,15H,6,10-11,18H2,1-5H3
InChIKeyLHIPNVVNTVJALX-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-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

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
CID 66073414
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-(diethylamino)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)acetonitrile
CID 64509980
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine
CID 64509072
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
CID 107316846
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 64509496
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
CID 83044315
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
CID 64508349

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine (CID 64509077) is N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine is CCC(C)N(C)C(CN)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine?
The InChIKey is LHIPNVVNTVJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-12(2)19(5)15(11-18)14-9-7-8-13-10-17(3,4)20-16(13)14/h7-9,12,15H,6,10-11,18H2,1-5H3.
What are the key properties of N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine?
N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 64509077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).