2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine

C17H27NO — CID 82462123

IUPAC2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(C)(CC)Oc2ccccc21
InChIInChI=1S/C17H27NO/c1-4-6-9-12-18-15-13-17(3,5-2)19-16-11-8-7-10-14(15)16/h7-8,10-11,15,18H,4-6,9,12-13H2,1-3H3
InChIKeyRYGMYJLKAXGVCT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.46
Rot. Bonds6

About 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine

2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine (PubChem CID 82462123) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
PubChem CID82462123
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(C)(CC)Oc2ccccc21
InChIInChI=1S/C17H27NO/c1-4-6-9-12-18-15-13-17(3,5-2)19-16-11-8-7-10-14(15)16/h7-8,10-11,15,18H,4-6,9,12-13H2,1-3H3
InChIKeyRYGMYJLKAXGVCT-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-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-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine (CID 82462123) is 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine is CCCCCNC1CC(C)(CC)Oc2ccccc21.
What is the InChIKey of 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine?
The InChIKey is RYGMYJLKAXGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-9-12-18-15-13-17(3,5-2)19-16-11-8-7-10-14(15)16/h7-8,10-11,15,18H,4-6,9,12-13H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine?
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).