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

C14H20N2O — CID 105491701

IUPAC4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1)OCCC2NC1CCCC1
InChIInChI=1S/C14H20N2O/c15-10-5-6-12-13(7-8-17-14(12)9-10)16-11-3-1-2-4-11/h5-6,9,11,13,16H,1-4,7-8,15H2
InChIKeyFGNASSOFOLMNSM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.62
Rot. Bonds2

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

4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 105491701) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID105491701
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1)OCCC2NC1CCCC1
InChIInChI=1S/C14H20N2O/c15-10-5-6-12-13(7-8-17-14(12)9-10)16-11-3-1-2-4-11/h5-6,9,11,13,16H,1-4,7-8,15H2
InChIKeyFGNASSOFOLMNSM-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105456603
4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 105473038
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
8-bromo-N-(oxan-3-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 63360437
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43591568
3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105473028
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
N-cyclohexyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43756033

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine (CID 105491701) is 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine is Nc1ccc2c(c1)OCCC2NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is FGNASSOFOLMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-5-6-12-13(7-8-17-14(12)9-10)16-11-3-1-2-4-11/h5-6,9,11,13,16H,1-4,7-8,15H2.
What are the key properties of 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine?
4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 105491701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).