N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine

C20H36N2O2 — CID 56980865

IUPACN-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine
SMILESCCCCCN(CCCCC)CCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H36N2O2/c1-5-7-9-14-22(15-10-8-6-2)16-13-21-18-11-12-19(23-3)20(17-18)24-4/h11-12,17,21H,5-10,13-16H2,1-4H3
InChIKeyPACPZCXQUIBWNT-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.80
Rot. Bonds14

About N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine

N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine (PubChem CID 56980865) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine
PubChem CID56980865
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine
SMILESCCCCCN(CCCCC)CCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H36N2O2/c1-5-7-9-14-22(15-10-8-6-2)16-13-21-18-11-12-19(23-3)20(17-18)24-4/h11-12,17,21H,5-10,13-16H2,1-4H3
InChIKeyPACPZCXQUIBWNT-UHFFFAOYSA-N
XLogP4.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-chloro-4-methoxyphenyl)-N'-ethyl-N'-heptylethane-1,2-diamine
CID 19855895
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 14998841
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
3-(3,4-dimethoxyphenyl)-1,1-dipentylthiourea
CID 17299033
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine
CID 111077445
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
N-hept-6-enyl-3,4-dimethoxyaniline
CID 107006447

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine (CID 56980865) is N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine is CCCCCN(CCCCC)CCNc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine?
The InChIKey is PACPZCXQUIBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-5-7-9-14-22(15-10-8-6-2)16-13-21-18-11-12-19(23-3)20(17-18)24-4/h11-12,17,21H,5-10,13-16H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine?
N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine has a molecular weight of 336.52 g/mol, XLogP of 4.80, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine is sourced from PubChem (CID 56980865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).