4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine

C15H23NO — CID 117339343

IUPAC4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
SMILESCC1(C)CCc2ccc(CCCCN)cc2O1
InChIInChI=1S/C15H23NO/c1-15(2)9-8-13-7-6-12(5-3-4-10-16)11-14(13)17-15/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyPVBGKXDPQPHSIX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds4

About 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine

4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine (PubChem CID 117339343) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
PubChem CID117339343
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
SMILESCC1(C)CCc2ccc(CCCCN)cc2O1
InChIInChI=1S/C15H23NO/c1-15(2)9-8-13-7-6-12(5-3-4-10-16)11-14(13)17-15/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyPVBGKXDPQPHSIX-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
CID 65305870
4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)butan-1-amine
CID 82341416
(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
CID 65305663
1-[6-(4-aminobutyl)-2,2-dimethyl-3H-1,4-benzoxazin-4-yl]ethanone
CID 82340647
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
3-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343367
[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
CID 151427934
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propanoic acid
CID 117376382

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine?
The IUPAC name of 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine (CID 117339343) is 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine.
What is the SMILES notation for 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine?
The canonical SMILES for 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine is CC1(C)CCc2ccc(CCCCN)cc2O1.
What is the InChIKey of 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine?
The InChIKey is PVBGKXDPQPHSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)9-8-13-7-6-12(5-3-4-10-16)11-14(13)17-15/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine?
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine is sourced from PubChem (CID 117339343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).