N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine

C14H19N3 — CID 10014060

IUPACN,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
SMILESCN(C)CC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H19N3/c1-17(2)9-13-14-11(7-8-15-13)10-5-3-4-6-12(10)16-14/h3-6,13,15-16H,7-9H2,1-2H3
InChIKeyDKGUOPNSLCYLQW-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.92
Rot. Bonds2

About N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine

N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine (PubChem CID 10014060) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
PubChem CID10014060
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
SMILESCN(C)CC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H19N3/c1-17(2)9-13-14-11(7-8-15-13)10-5-3-4-6-12(10)16-14/h3-6,13,15-16H,7-9H2,1-2H3
InChIKeyDKGUOPNSLCYLQW-UHFFFAOYSA-N
XLogP1.92
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
CID 132585352
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
CID 86001661
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
(1S)-1-[(4-methylphenyl)sulfinylmethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 100965004
(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6919090
2-[3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
CID 14162516
4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
CID 171396484
N,N-dimethyl-3-pyridin-2-yl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentan-3-amine
CID 69380213
(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 135054905
1-[(2-nitrophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15293063
1-[2-(1-azacycloundec-6-en-1-yl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 74052654

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine (CID 10014060) is N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine is CN(C)CC1NCCc2c1[nH]c1ccccc21.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine?
The InChIKey is DKGUOPNSLCYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(2)9-13-14-11(7-8-15-13)10-5-3-4-6-12(10)16-14/h3-6,13,15-16H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine?
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine is sourced from PubChem (CID 10014060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).