N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine

C21H30N4 — CID 141258488

IUPACN',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCN(C)c1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C21H30N4/c1-5-25(6-2)16-10-9-15-23(3)21-20-18(13-14-22-21)17-11-7-8-12-19(17)24(20)4/h7-8,11-14H,5-6,9-10,15-16H2,1-4H3
InChIKeyOOCJHCQYMPSMAF-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.28
Rot. Bonds8

About N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine

N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine (PubChem CID 141258488) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine
PubChem CID141258488
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCN(C)c1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C21H30N4/c1-5-25(6-2)16-10-9-15-23(3)21-20-18(13-14-22-21)17-11-7-8-12-19(17)24(20)4/h7-8,11-14H,5-6,9-10,15-16H2,1-4H3
InChIKeyOOCJHCQYMPSMAF-UHFFFAOYSA-N
XLogP4.28
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine
CID 141311529
N-[(9-butylpyrido[3,4-b]indol-1-yl)methyl]-N',N'-diethylpropane-1,3-diamine;hydrochloride
CID 56666856
N-[[9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]-N',N'-diethylbutane-1,4-diamine
CID 141311528
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine
CID 56642027
N,N'-bis[(9-methylpyrido[3,4-b]indol-1-yl)methyl]hexane-1,6-diamine;hydrochloride
CID 134130012
9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
CID 126583667
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine;tetrahydrochloride
CID 56642026
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
9-butyl-N-methylpyrido[3,4-b]indol-1-amine
CID 151947082
ethane;bis(9-methylcarbazole)
CID 159710949
1-ethyl-9-methylcarbazole
CID 21455608
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine (CID 141258488) is N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine is CCN(CC)CCCCN(C)c1nccc2c3ccccc3n(C)c12.
What is the InChIKey of N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine?
The InChIKey is OOCJHCQYMPSMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-5-25(6-2)16-10-9-15-23(3)21-20-18(13-14-22-21)17-11-7-8-12-19(17)24(20)4/h7-8,11-14H,5-6,9-10,15-16H2,1-4H3.
What are the key properties of N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine?
N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine is sourced from PubChem (CID 141258488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).