N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine

C21H29N3O2 — CID 57439519

IUPACN-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
SMILESCNCCCOc1ccc2c(c1)c1cc(OCCCNC)ccc1n2C
InChIInChI=1S/C21H29N3O2/c1-22-10-4-12-25-16-6-8-20-18(14-16)19-15-17(26-13-5-11-23-2)7-9-21(19)24(20)3/h6-9,14-15,22-23H,4-5,10-13H2,1-3H3
InChIKeyCJZDCYQKHNXKFC-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.31
Rot. Bonds10

About N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine

N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine (PubChem CID 57439519) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
PubChem CID57439519
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
SMILESCNCCCOc1ccc2c(c1)c1cc(OCCCNC)ccc1n2C
InChIInChI=1S/C21H29N3O2/c1-22-10-4-12-25-16-6-8-20-18(14-16)19-15-17(26-13-5-11-23-2)7-9-21(19)24(20)3/h6-9,14-15,22-23H,4-5,10-13H2,1-3H3
InChIKeyCJZDCYQKHNXKFC-UHFFFAOYSA-N
XLogP3.31
TPSA47.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
CID 57439698
N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439364
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 11420554
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
N-methyl-3-[[6-[3-(methylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 57439214
N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439365
10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
CID 70576800

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine (CID 57439519) is N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine is CNCCCOc1ccc2c(c1)c1cc(OCCCNC)ccc1n2C.
What is the InChIKey of N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine?
The InChIKey is CJZDCYQKHNXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22-10-4-12-25-16-6-8-20-18(14-16)19-15-17(26-13-5-11-23-2)7-9-21(19)24(20)3/h6-9,14-15,22-23H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine?
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine has a molecular weight of 355.48 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine is sourced from PubChem (CID 57439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).