N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine

C13H19NO — CID 115876909

IUPACN-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)CNc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO/c1-10(2)9-14-12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyYFECRGWNIHAIRL-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.08
Rot. Bonds3

About N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine

N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine (PubChem CID 115876909) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
PubChem CID115876909
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)CNc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO/c1-10(2)9-14-12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyYFECRGWNIHAIRL-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
N-(piperazin-1-ylmethyl)-3,4-dihydro-2H-chromen-6-amine
CID 115229797
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine (CID 115876909) is N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine is CC(C)CNc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is YFECRGWNIHAIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-14-12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine?
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 205.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 115876909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).