N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine

C17H27N3O — CID 107148871

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCN(CCCNC2COCc3ccccc32)CC1
InChIInChI=1S/C17H27N3O/c1-19-9-11-20(12-10-19)8-4-7-18-17-14-21-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-14H2,1H3
InChIKeyDNMMSWOLVAKRBK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107148871) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107148871
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCN(CCCNC2COCc3ccccc32)CC1
InChIInChI=1S/C17H27N3O/c1-19-9-11-20(12-10-19)8-4-7-18-17-14-21-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-14H2,1H3
InChIKeyDNMMSWOLVAKRBK-UHFFFAOYSA-N
XLogP1.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine 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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149463
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43769539
N-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149303
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
CID 106144670
N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43768389
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107148871) is N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine is CN1CCN(CCCNC2COCc3ccccc32)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is DNMMSWOLVAKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-9-11-20(12-10-19)8-4-7-18-17-14-21-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-14H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 289.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107148871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).