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

C16H26N2O — CID 115205260

IUPAC1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCN(CCCC(C)(C)N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H26N2O/c1-16(2,17)9-5-10-18(3)14-7-8-15-13(12-14)6-4-11-19-15/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyGAWSCHOSQWJQSZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.97
Rot. Bonds5

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

1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 115205260) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID115205260
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCN(CCCC(C)(C)N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H26N2O/c1-16(2,17)9-5-10-18(3)14-7-8-15-13(12-14)6-4-11-19-15/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyGAWSCHOSQWJQSZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
3-[[3,4-dihydro-2H-chromen-6-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247900
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine (CID 115205260) is 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine is CN(CCCC(C)(C)N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is GAWSCHOSQWJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,17)9-5-10-18(3)14-7-8-15-13(12-14)6-4-11-19-15/h7-8,12H,4-6,9-11,17H2,1-3H3.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine?
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 115205260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).