N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine

C32H40N2O4 — CID 44531707

IUPACN,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
SMILESCOc1cc2ccccc2c(CNCCCCCCNCc2c(OC)c(OC)cc3ccccc23)c1OC
InChIInChI=1S/C32H40N2O4/c1-35-29-19-23-13-7-9-15-25(23)27(31(29)37-3)21-33-17-11-5-6-12-18-34-22-28-26-16-10-8-14-24(26)20-30(36-2)32(28)38-4/h7-10,13-16,19-20,33-34H,5-6,11-12,17-18,21-22H2,1-4H3
InChIKeyPHUPGTHXCXOSND-UHFFFAOYSA-N
MW516.68 g/mol
LogP6.47
Rot. Bonds15

About N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine

N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine (PubChem CID 44531707) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
PubChem CID44531707
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC NameN,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
SMILESCOc1cc2ccccc2c(CNCCCCCCNCc2c(OC)c(OC)cc3ccccc23)c1OC
InChIInChI=1S/C32H40N2O4/c1-35-29-19-23-13-7-9-15-25(23)27(31(29)37-3)21-33-17-11-5-6-12-18-34-22-28-26-16-10-8-14-24(26)20-30(36-2)32(28)38-4/h7-10,13-16,19-20,33-34H,5-6,11-12,17-18,21-22H2,1-4H3
InChIKeyPHUPGTHXCXOSND-UHFFFAOYSA-N
XLogP6.47
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531706
N,N'-bis[(1,3-dimethoxynaphthalen-2-yl)methyl]hexane-1,6-diamine
CID 44531768
N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
6-(anthracen-9-ylmethylamino)hexan-1-ol
CID 11404042
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
1-(2,3-dimethoxynaphthalen-1-yl)propan-2-amine
CID 170891238
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine (CID 44531707) is N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine is COc1cc2ccccc2c(CNCCCCCCNCc2c(OC)c(OC)cc3ccccc23)c1OC.
What is the InChIKey of N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine?
The InChIKey is PHUPGTHXCXOSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-35-29-19-23-13-7-9-15-25(23)27(31(29)37-3)21-33-17-11-5-6-12-18-34-22-28-26-16-10-8-14-24(26)20-30(36-2)32(28)38-4/h7-10,13-16,19-20,33-34H,5-6,11-12,17-18,21-22H2,1-4H3.
What are the key properties of N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine?
N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine has a molecular weight of 516.68 g/mol, XLogP of 6.47, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 44531707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).