(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine

C15H23NO — CID 94276035

IUPAC(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)CCN[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-15(2,3)9-10-16-13-8-11-17-14-7-5-4-6-12(13)14/h4-7,13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyFCPVGEUXXFFMEI-ZDUSSCGKSA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds3

About (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 94276035) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID94276035
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)CCN[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-15(2,3)9-10-16-13-8-11-17-14-7-5-4-6-12(13)14/h4-7,13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyFCPVGEUXXFFMEI-ZDUSSCGKSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
CID 81412763
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine (CID 94276035) is (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)(C)CCN[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FCPVGEUXXFFMEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)9-10-16-13-8-11-17-14-7-5-4-6-12(13)14/h4-7,13,16H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 94276035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).