N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine

C15H24N2O — CID 115201324

IUPACN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H24N2O/c1-17(9-3-2-8-16)12-13-6-7-15-14(11-13)5-4-10-18-15/h6-7,11H,2-5,8-10,12,16H2,1H3
InChIKeyOWSVDHGETAUEIF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.18
Rot. Bonds6

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

N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine (PubChem CID 115201324) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
PubChem CID115201324
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H24N2O/c1-17(9-3-2-8-16)12-13-6-7-15-14(11-13)5-4-10-18-15/h6-7,11H,2-5,8-10,12,16H2,1H3
InChIKeyOWSVDHGETAUEIF-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
3-(3,4-dihydro-2H-chromen-6-ylsulfonyl)propan-1-amine
CID 116853275
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine (CID 115201324) is N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine is CN(CCCCN)Cc1ccc2c(c1)CCCO2.
What is the InChIKey of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine?
The InChIKey is OWSVDHGETAUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(9-3-2-8-16)12-13-6-7-15-14(11-13)5-4-10-18-15/h6-7,11H,2-5,8-10,12,16H2,1H3.
What are the key properties of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine?
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 115201324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).