N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine

C17H27NO — CID 82462139

IUPACN-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(CC)Oc2cc(C)ccc21
InChIInChI=1S/C17H27NO/c1-5-7-10-18-15-12-17(4,6-2)19-16-11-13(3)8-9-14(15)16/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyWGVMVDALOISKMX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.38
Rot. Bonds5

About N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine

N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 82462139) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID82462139
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(C)(CC)Oc2cc(C)ccc21
InChIInChI=1S/C17H27NO/c1-5-7-10-18-15-12-17(4,6-2)19-16-11-13(3)8-9-14(15)16/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyWGVMVDALOISKMX-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
7-fluoro-2-methyl-2-pentyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114713953
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
N-butyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 156754055
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine (CID 82462139) is N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine is CCCCNC1CC(C)(CC)Oc2cc(C)ccc21.
What is the InChIKey of N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is WGVMVDALOISKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-7-10-18-15-12-17(4,6-2)19-16-11-13(3)8-9-14(15)16/h8-9,11,15,18H,5-7,10,12H2,1-4H3.
What are the key properties of N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine?
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).