N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H29N3O — CID 115466026

IUPACN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCN1CCN(C(C)(C)CNC2CCCc3occc32)CC1
InChIInChI=1S/C17H29N3O/c1-17(2,20-10-8-19(3)9-11-20)13-18-15-5-4-6-16-14(15)7-12-21-16/h7,12,15,18H,4-6,8-11,13H2,1-3H3
InChIKeyQFFAGYKPEBDXDW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.27
Rot. Bonds4

About N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466026) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466026
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCN1CCN(C(C)(C)CNC2CCCc3occc32)CC1
InChIInChI=1S/C17H29N3O/c1-17(2,20-10-8-19(3)9-11-20)13-18-15-5-4-6-16-14(15)7-12-21-16/h7,12,15,18H,4-6,8-11,13H2,1-3H3
InChIKeyQFFAGYKPEBDXDW-UHFFFAOYSA-N
XLogP2.27
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106290111
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466026) is N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CN1CCN(C(C)(C)CNC2CCCc3occc32)CC1.
What is the InChIKey of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QFFAGYKPEBDXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,20-10-8-19(3)9-11-20)13-18-15-5-4-6-16-14(15)7-12-21-16/h7,12,15,18H,4-6,8-11,13H2,1-3H3.
What are the key properties of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).