N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C17H29N5 — CID 130321945

IUPACN-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESC=C(CC(CC)CC)Nc1cc(N2CC[C@@H](NC)C2)cnn1
InChIInChI=1S/C17H29N5/c1-5-14(6-2)9-13(3)20-17-10-16(11-19-21-17)22-8-7-15(12-22)18-4/h10-11,14-15,18H,3,5-9,12H2,1-2,4H3,(H,20,21)/t15-/m1/s1
InChIKeyZZOTZUYGVQMIMU-OAHLLOKOSA-N
MW303.45 g/mol
LogP3.03
Rot. Bonds8

About N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 130321945) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID130321945
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC NameN-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESC=C(CC(CC)CC)Nc1cc(N2CC[C@@H](NC)C2)cnn1
InChIInChI=1S/C17H29N5/c1-5-14(6-2)9-13(3)20-17-10-16(11-19-21-17)22-8-7-15(12-22)18-4/h10-11,14-15,18H,3,5-9,12H2,1-2,4H3,(H,20,21)/t15-/m1/s1
InChIKeyZZOTZUYGVQMIMU-OAHLLOKOSA-N
XLogP3.03
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 130321945) is N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is C=C(CC(CC)CC)Nc1cc(N2CC[C@@H](NC)C2)cnn1.
What is the InChIKey of N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is ZZOTZUYGVQMIMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5/c1-5-14(6-2)9-13(3)20-17-10-16(11-19-21-17)22-8-7-15(12-22)18-4/h10-11,14-15,18H,3,5-9,12H2,1-2,4H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhex-1-en-2-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 130321945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).