2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine

C18H29NO — CID 82462447

IUPAC2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C18H29NO/c1-4-7-10-13-19-16-14-18(5-2,6-3)20-17-12-9-8-11-15(16)17/h8-9,11-12,16,19H,4-7,10,13-14H2,1-3H3
InChIKeyMZSDRELNWHKSJT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.85
Rot. Bonds7

About 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine

2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine (PubChem CID 82462447) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
PubChem CID82462447
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C18H29NO/c1-4-7-10-13-19-16-14-18(5-2,6-3)20-17-12-9-8-11-15(16)17/h8-9,11-12,16,19H,4-7,10,13-14H2,1-3H3
InChIKeyMZSDRELNWHKSJT-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.85
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-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N,2,2-tripropyl-3,4-dihydrochromen-4-amine
CID 114712437
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
N-butyl-6,6-diethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462644
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine (CID 82462447) is 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine is CCCCCNC1CC(CC)(CC)Oc2ccccc21.
What is the InChIKey of 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The InChIKey is MZSDRELNWHKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-10-13-19-16-14-18(5-2,6-3)20-17-12-9-8-11-15(16)17/h8-9,11-12,16,19H,4-7,10,13-14H2,1-3H3.
What are the key properties of 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine?
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).