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

C13H18N2O — CID 80560661

IUPAC1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
SMILESNC1CC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C13H18N2O/c14-9-7-10(8-9)15-12-5-6-16-13-4-2-1-3-11(12)13/h1-4,9-10,12,15H,5-8,14H2
InChIKeyBRLJPPQXRIEKSK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.59
Rot. Bonds2

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

1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine (PubChem CID 80560661) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
PubChem CID80560661
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
SMILESNC1CC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C13H18N2O/c14-9-7-10(8-9)15-12-5-6-16-13-4-2-1-3-11(12)13/h1-4,9-10,12,15H,5-8,14H2
InChIKeyBRLJPPQXRIEKSK-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
(1S,5R)-8-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 99777300
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 103787277
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine (CID 80560661) is 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine is NC1CC(NC2CCOc3ccccc32)C1.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine?
The InChIKey is BRLJPPQXRIEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-7-10(8-9)15-12-5-6-16-13-4-2-1-3-11(12)13/h1-4,9-10,12,15H,5-8,14H2.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine?
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).