N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine

C20H29N3 — CID 143709083

IUPACN-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C20H29N3/c1-6-9-21-13(2)16-12-22-18-11-14-10-15(20(3,4)5)7-8-17(14)23-19(16)18/h11-12,15,21-22H,2,6-10H2,1,3-5H3
InChIKeyOUGFQHWZNJBMAN-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.68
Rot. Bonds4

About N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine

N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine (PubChem CID 143709083) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine
PubChem CID143709083
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C20H29N3/c1-6-9-21-13(2)16-12-22-18-11-14-10-15(20(3,4)5)7-8-17(14)23-19(16)18/h11-12,15,21-22H,2,6-10H2,1,3-5H3
InChIKeyOUGFQHWZNJBMAN-UHFFFAOYSA-N
XLogP4.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine (CID 143709083) is N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine is C=C(NCCC)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.
What is the InChIKey of N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine?
The InChIKey is OUGFQHWZNJBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-6-9-21-13(2)16-12-22-18-11-14-10-15(20(3,4)5)7-8-17(14)23-19(16)18/h11-12,15,21-22H,2,6-10H2,1,3-5H3.
What are the key properties of N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine?
N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine is sourced from PubChem (CID 143709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).