N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine

C18H22N4 — CID 46849433

IUPACN,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine
SMILESCc1nc(/C=N/CCCN(C)C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H22N4/c1-13-18-16(15-7-4-5-8-17(15)21-18)11-14(20-13)12-19-9-6-10-22(2)3/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3/b19-12+
InChIKeyULMQBUHVDDSSKD-XDHOZWIPSA-N
MW294.40 g/mol
LogP3.40
Rot. Bonds5

About N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine

N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine (PubChem CID 46849433) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine
PubChem CID46849433
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine
SMILESCc1nc(/C=N/CCCN(C)C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H22N4/c1-13-18-16(15-7-4-5-8-17(15)21-18)11-14(20-13)12-19-9-6-10-22(2)3/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3/b19-12+
InChIKeyULMQBUHVDDSSKD-XDHOZWIPSA-N
XLogP3.40
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine (CID 46849433) is N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine is Cc1nc(/C=N/CCCN(C)C)cc2c1[nH]c1ccccc12.
What is the InChIKey of N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine?
The InChIKey is ULMQBUHVDDSSKD-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-18-16(15-7-4-5-8-17(15)21-18)11-14(20-13)12-19-9-6-10-22(2)3/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3/b19-12+.
What are the key properties of N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine?
N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine is sourced from PubChem (CID 46849433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).