N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine

C19H26N4 — CID 141311529

IUPACN',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C19H26N4/c1-4-23(5-2)13-12-20-14-17-19-16(10-11-21-17)15-8-6-7-9-18(15)22(19)3/h6-11,20H,4-5,12-14H2,1-3H3
InChIKeyAFFBCJBOOVACFE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.16
Rot. Bonds7

About N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine (PubChem CID 141311529) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine
PubChem CID141311529
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nccc2c3ccccc3n(C)c12
InChIInChI=1S/C19H26N4/c1-4-23(5-2)13-12-20-14-17-19-16(10-11-21-17)15-8-6-7-9-18(15)22(19)3/h6-11,20H,4-5,12-14H2,1-3H3
InChIKeyAFFBCJBOOVACFE-UHFFFAOYSA-N
XLogP3.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
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'-bis[(9-methylpyrido[3,4-b]indol-1-yl)methyl]hexane-1,6-diamine;hydrochloride
CID 134130012
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine
CID 56642027
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine;tetrahydrochloride
CID 56642026
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-methyl-N-(9-methylpyrido[3,4-b]indol-1-yl)butane-1,4-diamine
CID 141258488
N,N'-bis[(9-octylpyrido[3,4-b]indol-1-yl)methyl]butane-1,4-diamine;hydrochloride
CID 134130590
N',N'-dimethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine
CID 54753268
N,N'-bis[[9-(2-methylpropyl)pyrido[3,4-b]indol-1-yl]methyl]hexane-1,6-diamine;hydrochloride
CID 134131170
N,N'-bis[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134131134
N,N'-bis[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]hexane-1,6-diamine
CID 134130211
N'-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]butane-1,4-diamine
CID 143870639

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine (CID 141311529) is N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1nccc2c3ccccc3n(C)c12.
What is the InChIKey of N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine?
The InChIKey is AFFBCJBOOVACFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-23(5-2)13-12-20-14-17-19-16(10-11-21-17)15-8-6-7-9-18(15)22(19)3/h6-11,20H,4-5,12-14H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 141311529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).