N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine

C18H24N4 — CID 153420870

IUPACN,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine
SMILESCC(C)NC(NC(C)C)n1c2ccccc2c2ccncc21
InChIInChI=1S/C18H24N4/c1-12(2)20-18(21-13(3)4)22-16-8-6-5-7-14(16)15-9-10-19-11-17(15)22/h5-13,18,20-21H,1-4H3
InChIKeyOUWLILDWDCYIJV-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.64
Rot. Bonds5

About N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine

N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine (PubChem CID 153420870) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine
PubChem CID153420870
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine
SMILESCC(C)NC(NC(C)C)n1c2ccccc2c2ccncc21
InChIInChI=1S/C18H24N4/c1-12(2)20-18(21-13(3)4)22-16-8-6-5-7-14(16)15-9-10-19-11-17(15)22/h5-13,18,20-21H,1-4H3
InChIKeyOUWLILDWDCYIJV-UHFFFAOYSA-N
XLogP3.64
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide
CID 58171417
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601
N-[carbazol-9-yl(methylamino)methyl]hydroxylamine
CID 167289851
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
9-nitropyrido[3,4-b]indole;hydrochloride
CID 22185253
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
9-(1-phenylethyl)carbazole
CID 154375313

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine?
The IUPAC name of N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine (CID 153420870) is N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine?
The canonical SMILES for N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine is CC(C)NC(NC(C)C)n1c2ccccc2c2ccncc21.
What is the InChIKey of N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine?
The InChIKey is OUWLILDWDCYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-12(2)20-18(21-13(3)4)22-16-8-6-5-7-14(16)15-9-10-19-11-17(15)22/h5-13,18,20-21H,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine?
N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine has a molecular weight of 296.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine is sourced from PubChem (CID 153420870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).