N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C18H25N3O — CID 82461492

IUPACN-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc2c(c1)C(NCCCn1ccnc1)CCO2
InChIInChI=1S/C18H25N3O/c1-14(2)15-4-5-18-16(12-15)17(6-11-22-18)20-7-3-9-21-10-8-19-13-21/h4-5,8,10,12-14,17,20H,3,6-7,9,11H2,1-2H3
InChIKeyCACNTTLQWAWRNV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.51
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461492) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461492
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc2c(c1)C(NCCCn1ccnc1)CCO2
InChIInChI=1S/C18H25N3O/c1-14(2)15-4-5-18-16(12-15)17(6-11-22-18)20-7-3-9-21-10-8-19-13-21/h4-5,8,10,12-14,17,20H,3,6-7,9,11H2,1-2H3
InChIKeyCACNTTLQWAWRNV-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 97096373
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
CID 166200780
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 82461492) is N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)c1ccc2c(c1)C(NCCCn1ccnc1)CCO2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CACNTTLQWAWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)15-4-5-18-16(12-15)17(6-11-22-18)20-7-3-9-21-10-8-19-13-21/h4-5,8,10,12-14,17,20H,3,6-7,9,11H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 299.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).