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

C17H28N2O — CID 82461432

IUPACN',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCOc2ccc(C)cc21
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)11-6-10-18-16-9-12-20-17-8-7-14(3)13-15(16)17/h7-8,13,16,18H,4-6,9-12H2,1-3H3
InChIKeyDTGWRHPDSIVLOL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds7

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

N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (PubChem CID 82461432) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
PubChem CID82461432
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCOc2ccc(C)cc21
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)11-6-10-18-16-9-12-20-17-8-7-14(3)13-15(16)17/h7-8,13,16,18H,4-6,9-12H2,1-3H3
InChIKeyDTGWRHPDSIVLOL-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.14
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

N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461412
tert-butyl N-[3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propyl]carbamate;1,3-difluoro-5-methylbenzene;ethane
CID 142904437
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (CID 82461432) is N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is CCN(CC)CCCNC1CCOc2ccc(C)cc21.
What is the InChIKey of N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The InChIKey is DTGWRHPDSIVLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(5-2)11-6-10-18-16-9-12-20-17-8-7-14(3)13-15(16)17/h7-8,13,16,18H,4-6,9-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is sourced from PubChem (CID 82461432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).