N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine

C16H23NO3 — CID 82462091

IUPACN-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCCCCNC1CC(C)(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C16H23NO3/c1-4-5-6-17-12-9-16(2,3)20-13-8-15-14(7-11(12)13)18-10-19-15/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyZZMCNBZBFCSZQX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.41
Rot. Bonds4

About N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine

N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine (PubChem CID 82462091) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine.

Molecular Properties

Compound NameN-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
PubChem CID82462091
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCCCCNC1CC(C)(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C16H23NO3/c1-4-5-6-17-12-9-16(2,3)20-13-8-15-14(7-11(12)13)18-10-19-15/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyZZMCNBZBFCSZQX-UHFFFAOYSA-N
XLogP3.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-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-butyl-6,6-diethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462644
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
CID 64697481
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462052
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776

Frequently Asked Questions

What is the IUPAC name of N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine?
The IUPAC name of N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine (CID 82462091) is N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine.
What is the SMILES notation for N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine?
The canonical SMILES for N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine is CCCCNC1CC(C)(C)Oc2cc3c(cc21)OCO3.
What is the InChIKey of N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine?
The InChIKey is ZZMCNBZBFCSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-17-12-9-16(2,3)20-13-8-15-14(7-11(12)13)18-10-19-15/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine?
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine has a molecular weight of 277.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine is sourced from PubChem (CID 82462091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).