N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 115704436

IUPACN-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCOCCCNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H29NO2/c1-4-5-12-20-13-8-11-19-16-14-18(2,3)21-17-10-7-6-9-15(16)17/h6-7,9-10,16,19H,4-5,8,11-14H2,1-3H3
InChIKeyRXNSUZKBMXBKKH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds8

About N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 115704436) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID115704436
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCOCCCNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H29NO2/c1-4-5-12-20-13-8-11-19-16-14-18(2,3)21-17-10-7-6-9-15(16)17/h6-7,9-10,16,19H,4-5,8,11-14H2,1-3H3
InChIKeyRXNSUZKBMXBKKH-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 115704436) is N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCCCOCCCNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is RXNSUZKBMXBKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-12-20-13-8-11-19-16-14-18(2,3)21-17-10-7-6-9-15(16)17/h6-7,9-10,16,19H,4-5,8,11-14H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 115704436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).