N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C15H21NO — CID 43512490

IUPACN-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCCC2NC1CC1
InChIInChI=1S/C15H21NO/c1-10(2)12-4-3-5-13-14(16-11-6-7-11)8-9-17-15(12)13/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyOTBOHRBJGBQSOR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.39
Rot. Bonds3

About N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512490) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512490
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCCC2NC1CC1
InChIInChI=1S/C15H21NO/c1-10(2)12-4-3-5-13-14(16-11-6-7-11)8-9-17-15(12)13/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyOTBOHRBJGBQSOR-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 43512490) is N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)c1cccc2c1OCCC2NC1CC1.
What is the InChIKey of N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OTBOHRBJGBQSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)12-4-3-5-13-14(16-11-6-7-11)8-9-17-15(12)13/h3-5,10-11,14,16H,6-9H2,1-2H3.
What are the key properties of N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).