3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine

C13H18N2O — CID 105473028

IUPAC3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
SMILESNc1ccc2c(c1)OCC(NC1CCC1)C2
InChIInChI=1S/C13H18N2O/c14-10-5-4-9-6-12(8-16-13(9)7-10)15-11-2-1-3-11/h4-5,7,11-12,15H,1-3,6,8,14H2
InChIKeyZRVASSHGJREVQK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds2

About 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine

3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine (PubChem CID 105473028) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine.

Molecular Properties

Compound Name3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
PubChem CID105473028
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
SMILESNc1ccc2c(c1)OCC(NC1CCC1)C2
InChIInChI=1S/C13H18N2O/c14-10-5-4-9-6-12(8-16-13(9)7-10)15-11-2-1-3-11/h4-5,7,11-12,15H,1-3,6,8,14H2
InChIKeyZRVASSHGJREVQK-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105456601
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
CID 105459411
4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105491701
[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480448
2-(cyclobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 105455650
4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105456603
(3S)-N-(1,4-dithiepan-6-yl)-3,4-dihydro-2H-chromen-3-amine
CID 42213064
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
2-(5-amino-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide;hydrochloride
CID 120623696
N-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-2-amine
CID 83829022
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine?
The IUPAC name of 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine (CID 105473028) is 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine.
What is the SMILES notation for 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine?
The canonical SMILES for 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine is Nc1ccc2c(c1)OCC(NC1CCC1)C2.
What is the InChIKey of 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine?
The InChIKey is ZRVASSHGJREVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-10-5-4-9-6-12(8-16-13(9)7-10)15-11-2-1-3-11/h4-5,7,11-12,15H,1-3,6,8,14H2.
What are the key properties of 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine?
3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine is sourced from PubChem (CID 105473028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).