3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine

C30H47N3O2 — CID 57439420

IUPAC3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc2c(c1)[nH]c1cc(OCCCN(CCC)CCC)ccc12
InChIInChI=1S/C30H47N3O2/c1-5-15-32(16-6-2)19-9-21-34-25-11-13-27-28-14-12-26(24-30(28)31-29(27)23-25)35-22-10-20-33(17-7-3)18-8-4/h11-14,23-24,31H,5-10,15-22H2,1-4H3
InChIKeyPZSIPFXSAAOCBP-UHFFFAOYSA-N
MW481.73 g/mol
LogP7.10
Rot. Bonds18

About 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine

3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine (PubChem CID 57439420) has the molecular formula C30H47N3O2 and a molecular weight of 481.73 g/mol. Its IUPAC name is 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
PubChem CID57439420
Molecular FormulaC30H47N3O2
Molecular Weight481.73 g/mol
Exact Mass481.37
IUPAC Name3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc2c(c1)[nH]c1cc(OCCCN(CCC)CCC)ccc12
InChIInChI=1S/C30H47N3O2/c1-5-15-32(16-6-2)19-9-21-34-25-11-13-27-28-14-12-26(24-30(28)31-29(27)23-25)35-22-10-20-33(17-7-3)18-8-4/h11-14,23-24,31H,5-10,15-22H2,1-4H3
InChIKeyPZSIPFXSAAOCBP-UHFFFAOYSA-N
XLogP7.10
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.73
LogP ≤ 57.10
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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Frequently Asked Questions

What is the IUPAC name of 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine (CID 57439420) is 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1ccc2c(c1)[nH]c1cc(OCCCN(CCC)CCC)ccc12.
What is the InChIKey of 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine?
The InChIKey is PZSIPFXSAAOCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O2/c1-5-15-32(16-6-2)19-9-21-34-25-11-13-27-28-14-12-26(24-30(28)31-29(27)23-25)35-22-10-20-33(17-7-3)18-8-4/h11-14,23-24,31H,5-10,15-22H2,1-4H3.
What are the key properties of 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine?
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine has a molecular weight of 481.73 g/mol, XLogP of 7.10, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 57439420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).