N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine

C13H20N2O — CID 115201022

IUPACN'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
SMILESNCCCCNc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H20N2O/c14-7-1-2-8-15-12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,1-4,7-9,14H2
InChIKeyPTYNZYMELPIJQU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds5

About N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine

N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine (PubChem CID 115201022) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
PubChem CID115201022
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
SMILESNCCCCNc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H20N2O/c14-7-1-2-8-15-12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,1-4,7-9,14H2
InChIKeyPTYNZYMELPIJQU-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
N-(piperazin-1-ylmethyl)-3,4-dihydro-2H-chromen-6-amine
CID 115229797
2-amino-4-(3,4-dihydro-2H-chromen-6-ylamino)butanoic acid
CID 115241034
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
4-(2,3-dihydro-1-benzofuran-5-ylamino)butanoic acid
CID 115218481
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine (CID 115201022) is N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine is NCCCCNc1ccc2c(c1)CCCO2.
What is the InChIKey of N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine?
The InChIKey is PTYNZYMELPIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-1-2-8-15-12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,1-4,7-9,14H2.
What are the key properties of N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine?
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine is sourced from PubChem (CID 115201022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).