2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine

C14H22N2O — CID 115132458

IUPAC2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O/c1-14(2,10-15-3)16-12-6-7-13-11(9-12)5-4-8-17-13/h6-7,9,15-16H,4-5,8,10H2,1-3H3
InChIKeyDGROVUDQALTPRR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds4

About 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine

2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132458) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132458
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O/c1-14(2,10-15-3)16-12-6-7-13-11(9-12)5-4-8-17-13/h6-7,9,15-16H,4-5,8,10H2,1-3H3
InChIKeyDGROVUDQALTPRR-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropane-1,2-diamine
CID 115131610
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine (CID 115132458) is 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is DGROVUDQALTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,10-15-3)16-12-6-7-13-11(9-12)5-4-8-17-13/h6-7,9,15-16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine?
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).