N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine

C22H34N4O — CID 19762600

IUPACN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine
SMILESCOc1ccc(CN(CCN(C)CCCCCCN)c2ccccn2)cc1
InChIInChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3
InChIKeyAYEQNAFPDMJGOZ-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.55
Rot. Bonds13

About N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine

N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine (PubChem CID 19762600) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine
PubChem CID19762600
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine
SMILESCOc1ccc(CN(CCN(C)CCCCCCN)c2ccccn2)cc1
InChIInChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3
InChIKeyAYEQNAFPDMJGOZ-UHFFFAOYSA-N
XLogP3.55
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Thonzylamine Hydrochloride
CID 6136
Thonzonium
CID 5456
Thonzonium Bromide
CID 11102
Pyrilamine hydrochloride
CID 80139
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine?
The IUPAC name of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine (CID 19762600) is N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine?
The canonical SMILES for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine is COc1ccc(CN(CCN(C)CCCCCCN)c2ccccn2)cc1.
What is the InChIKey of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine?
The InChIKey is AYEQNAFPDMJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3.
What are the key properties of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine?
N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine has a molecular weight of 370.54 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine is sourced from PubChem (CID 19762600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).