5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

C19H31NO2 — CID 82462052

IUPAC5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(C)Oc2cccc(OCCCC)c21
InChIInChI=1S/C19H31NO2/c1-5-7-12-20-15-14-19(3,4)22-17-11-9-10-16(18(15)17)21-13-8-6-2/h9-11,15,20H,5-8,12-14H2,1-4H3
InChIKeyUSIJDELQONZHKA-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.86
Rot. Bonds8

About 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 82462052) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID82462052
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(C)Oc2cccc(OCCCC)c21
InChIInChI=1S/C19H31NO2/c1-5-7-12-20-15-14-19(3,4)22-17-11-9-10-16(18(15)17)21-13-8-6-2/h9-11,15,20H,5-8,12-14H2,1-4H3
InChIKeyUSIJDELQONZHKA-UHFFFAOYSA-N
XLogP4.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
CID 82462380
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462091
2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82462367
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 62311714

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 82462052) is 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCCCNC1CC(C)(C)Oc2cccc(OCCCC)c21.
What is the InChIKey of 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is USIJDELQONZHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-7-12-20-15-14-19(3,4)22-17-11-9-10-16(18(15)17)21-13-8-6-2/h9-11,15,20H,5-8,12-14H2,1-4H3.
What are the key properties of 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 305.46 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).