N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82461986

IUPACN-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(C)Oc2ccc(OCCC)cc21
InChIInChI=1S/C18H29NO2/c1-5-7-10-19-16-13-18(3,4)21-17-9-8-14(12-15(16)17)20-11-6-2/h8-9,12,16,19H,5-7,10-11,13H2,1-4H3
InChIKeyUPTUSPJDGDBQAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds7

About N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine

N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine (PubChem CID 82461986) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
PubChem CID82461986
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(C)Oc2ccc(OCCC)cc21
InChIInChI=1S/C18H29NO2/c1-5-7-10-19-16-13-18(3,4)21-17-9-8-14(12-15(16)17)20-11-6-2/h8-9,12,16,19H,5-7,10-11,13H2,1-4H3
InChIKeyUPTUSPJDGDBQAW-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.47
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

6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462052
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462091
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
5-[[2,2-dimethyl-4-(propylsulfonylamino)-3,4-dihydrochromen-6-yl]oxy]pentanoic acid
CID 21264515
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine?
The IUPAC name of N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine (CID 82461986) is N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine is CCCCNC1CC(C)(C)Oc2ccc(OCCC)cc21.
What is the InChIKey of N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine?
The InChIKey is UPTUSPJDGDBQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-10-19-16-13-18(3,4)21-17-9-8-14(12-15(16)17)20-11-6-2/h8-9,12,16,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine?
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).